SCHEMBL7306529

SCHEMBL7306529

CC(C)(C)C(=O)NC1(c2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.53
OPRL1 P41146 1/20 0.52
POLB P06746 3/20 0.51
CYP2D6 P10635 3/20 0.50
NPY2R P49146 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
OPRM1 P35372 1/20 0.46
LMNA P02545 1/20 0.45
CCR3 P51677 1/20 0.45
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4631243 0.85 POLB (0.64) DPP4OPRL1POLBCYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL9317938 0.84 POLB (0.62) DPP4OPRL1POLBCYP2D6ALDH1A1
SCHEMBL7315847 0.84 NPFFR1 (0.56) DPP4OPRL1POLBCYP2D6ALDH1A1
SCHEMBL5698817 0.83 POLB (0.54) DPP4OPRL1POLBCYP2D6ALDH1A1
SCHEMBL27511071 0.83 DPP4 (0.58) DPP4OPRL1POLBCYP2D6ALDH1A1
SCHEMBL4630797 0.82 TACR3 (0.55) DPP4OPRL1POLBCYP2D6ALDH1A1
SCHEMBL12666547 0.82 POLB (0.46) OPRL1POLBALDH1A1OPRM1HSD17B10
SCHEMBL7315782 0.80 DPP4 (0.53) DPP4OPRL1POLBOPRM1
SCHEMBL11323331 0.79 SSTR4 (0.50) POLBALDH1A1HSD17B10
SCHEMBL3907536 0.79 POLB (0.60) DPP4OPRL1POLBCYP2D6ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294537-B1 NEUROKININS USED FOR TREATMENT OF DISEASES SANOFI-SYNTHELABO (FR) 2001-09-25 US disclosed
EP-0673928-B1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI SYNTHELABO (FR) 2001-08-29 EP disclosed
US-6124316-A ACTIVE DRUG TREATING PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, OF HYPERTENSION AND, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2000-09-26 US disclosed
US-5942523-A NOVEL PIPERIDINE DERIVATIVES WHOSE SPECIFIC STRUCTURE INCLUDES AT POSITION 1 AN ALKYL CHAIN HAVING A 3,4-DICHLOROPHENYL GROUP ATTACHED; HIGH SELECTIVITY TO THE NK3 RECEPTOR; UNIT DOSAGE FORM; TREATING PSYCHIATRIC DISEASES SANOFI (FR) 1999-08-24 US disclosed
US-5741910-A PIPERIDINE DERIVATIVE INTERMEDIATES SANOFI (FR) 1998-04-21 US disclosed
EP-0700382-A1 NOVEL N-ARYLALIPHATIC-N-ALKYL-FUNCTIONALISED AMIDES, METHOD FOR THEIR PREPATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026335-A1 NOVEL N-ARYLALIPHATIC-N-ALKYL-FUNCTIONALISED AMIDES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1995-10-05 WO disclosed
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed