SCHEMBL7278360

SCHEMBL7278360

Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(CC2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 1.00
AVPR2 P30518 2/20 1.00
AVPR1A P37288 2/20 1.00
CYP3A4 P08684 1/20 1.00
TSHR P16473 1/20 1.00
MEN1 O00255 1/20 0.98
BLM P54132 1/20 0.98
PMP22 Q01453 1/20 0.98
KMT2A Q03164 1/20 0.98
OPRK1 P41145 1/20 0.98
TMEM97 Q5BJF2 1/20 0.98
SIGMAR1 Q99720 1/20 0.98
AVPR1B P47901 1/20 0.83

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12636892 1.00 OXTR (1.00) OXTRAVPR2AVPR1ACYP3A4TSHR
SCHEMBL26813473 1.00 OXTR (1.00) OXTRAVPR2AVPR1ACYP3A4TSHR
SCHEMBL29766904 1.00 OXTR (1.00) OXTRAVPR2AVPR1ACYP3A4TSHR
SCHEMBL17423276 1.00 OXTR (1.00) OXTRAVPR2AVPR1ACYP3A4TSHR
SCHEMBL7303364 1.00 OXTR (1.00) OXTRAVPR2AVPR1ACYP3A4TSHR
SCHEMBL14829136 1.00 OXTR (1.00) OXTRAVPR2AVPR1ACYP3A4TSHR
SCHEMBL17423280 1.00 OXTR (1.00) OXTRAVPR2AVPR1ACYP3A4TSHR
Hydrochloric Acid SCHEMBL30515732 0.99 MEN1 (1.00) OXTRAVPR2AVPR1ACYP3A4TSHR
Hydrochloric Acid SCHEMBL29371071 0.99 MEN1 (1.00) OXTRAVPR2AVPR1ACYP3A4TSHR
SCHEMBL7305556 0.93 OXTR (0.87) OXTRAVPR2AVPR1ACYP3A4TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996012476-A1 WET GRANULATION FORMULATION FOR A PIPERAZINYLCAMPHORSULFONYL OXYTOCIN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 1996-05-02 WO claimed
EP-0755374-B1 PROCESS FOR PEPTIDE SEGMENT CONDENSATION MERCK & CO INC (US) 2000-08-16 EP disclosed
EP-0783306-A4 METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS MERCK & CO INC (US) 1998-09-23 EP disclosed
US-5773575-A REACTING A CARBOXYLIC ACID AND AMINE WITH COUPLING AGENT MERCK & CO., INC. (US) 1998-06-30 US disclosed
US-5686454-A PREVENTING LABOR, VASODILATION, DIURESIS, HYPOTENSIVE AGENTS, ANTICOAGULANTS, TREATING DYSMENORRHEA MERCK & CO., INC. (US) 1997-11-11 US disclosed
EP-0783306-A1 METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS MERCK & CO. INC. (US) 1997-07-16 EP disclosed
US-5648352-A STOPPING LABOR MERCK & CO., INC. (US) 1997-07-15 US disclosed
US-5599809-A ADMINISTERING PIPERAZINE DERIVATIVE OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-02-04 US disclosed
EP-0708765-A4 SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK & CO INC (US) 1996-06-26 EP disclosed
WO-1996012476-A1 WET GRANULATION FORMULATION FOR A PIPERAZINYLCAMPHORSULFONYL OXYTOCIN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 1996-05-02 WO disclosed
EP-0708765-A1 SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK & CO. INC. (US) 1996-05-01 EP disclosed
WO-1996009824-A1 METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS MERCK & CO., INC. (US) 1996-04-04 WO disclosed
US-5502165-A AMIDATION OF CARBOXY COMPOOUND WITH AMINE IN WATER AND SOLVENT MERCK & CO., INC. (US) 1996-03-26 US disclosed
WO-1995002587-A1 SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 WO disclosed
WO-1993006092-A1 PIPERAZINYL (SULFONYL)AMIDE DERIVATIVES OF CAMPHOR AS OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1993-04-01 WO disclosed
EP-0533240-A2 Substituted amine derivatives of piperazinylcamphorsulfonyl oxytocin antagonists MERCK & CO. INC. (US) 1993-03-24 EP disclosed
EP-0533241-A2 Substituted alkyl derivatives of piperazinylcamphorsulfonyl oxytocin antagonists MERCK & CO. INC. (US) 1993-03-24 EP disclosed
EP-0533242-A2 Substituted derivatives of piperazinylcamphorsulfonyl oxytocin antagonists MERCK & CO. INC. (US) 1993-03-24 EP disclosed
EP-0532097-A1 Piperazinyl(sulfon)amide derivatives of camphor as oxytocin antagonists MERCK & CO. INC. (US) 1993-03-17 EP disclosed