SCHEMBL7302437

SCHEMBL7302437

O=C(NC(CS)Cc1ccccc1)N1CCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 4/20 0.57
▸ MME P08473 2/20 0.57
▸ POLB P06746 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ FPR2 P25090 1/20 0.48
▸ ECE1 P42892 1/20 0.48

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
SCHEMBL7295820 0.99 CTRB1 (0.58) CTRB1MMEPOLBHPGDTSHR
SCHEMBL7306998 0.89 CTRB1 (0.57) CTRB1MMEPOLBGAAECE1
SCHEMBL7298793 0.87 CHRM1 (0.58) CTRB1MMEPOLB
SCHEMBL7298454 0.87 CTRB1 (0.50) CTRB1MMEPOLBECE1
SCHEMBL7306380 0.86 CTRB1 (0.55) CTRB1MMEPOLBGAAECE1
SCHEMBL7304867 0.86 CTRB1 (0.55) CTRB1MMEPOLB
SCHEMBL7301882 0.86 CTRB1 (0.55) CTRB1MMEPOLBGAAECE1
SCHEMBL7294887 0.86 HSD17B10 (0.56) CTRB1MMEPOLB
SCHEMBL7298921 0.85 POLB (0.69) CTRB1MMEPOLBGAA
Hydrochloric Acid SCHEMBL7295971 0.85 HSD17B10 (0.54) CTRB1MMEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674864-A ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS ROUSSEL UCLAF (FR) 1997-10-07 — — US claimed
US-5674864-A ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS ROUSSEL UCLAF (FR) 1997-10-07 — — US disclosed
EP-0465369-B1 N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1994-04-13 — — EP disclosed
US-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 — — US disclosed
EP-0465369-A1 N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1992-01-08 — — EP disclosed
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