SCHEMBL7016138

SCHEMBL7016138

Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)c(Cl)nc(NC[C@H]4CCCCN4CC4CC4)c3=O)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.41
F7 P08709 12/20 0.40
F2 P00734 11/20 0.40
F3 P13726 8/20 0.40
PRSS1 P07477 3/20 0.38
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F10 P00742 1/20 0.34

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
SCHEMBL7027523 0.90 F2 (0.39) TPSAB1F7F2F3PRSS1
SCHEMBL7021376 0.88 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7022726 0.87 F2 (0.43) TPSAB1F7F2F3PRSS1
SCHEMBL7020324 0.85 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7023456 0.85 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7019546 0.85 F2 (0.47) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7027209 0.85 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7027521 0.85 F2 (0.40) TPSAB1F7F2F3PRSS1
SCHEMBL7016094 0.83 F2 (0.39) TPSAB1F7F2F3PRSS1
SCHEMBL7022361 0.79 TPSAB1 (0.40) TPSAB1F7F2F3PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed