SCHEMBL7022356

SCHEMBL7022356

Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)c(Cl)nc(NCC4CN(C(=O)C(F)(F)F)CCO4)c3=O)cc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 13/20 0.41
F2 P00734 5/20 0.40
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
PRSS1 P07477 1/20 0.37
ENPP2 Q13822 2/20 0.37

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
SCHEMBL7027521 0.87 F2 (0.40) TPSAB1F2F7F3PRSS1
SCHEMBL7022361 0.86 TPSAB1 (0.40) TPSAB1F2F7F3PRSS1
SCHEMBL7024445 0.81 F2 (0.45) TPSAB1F2F7F3PRSS1
SCHEMBL7022726 0.80 F2 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7027523 0.79 F2 (0.39) TPSAB1F2F7F3PRSS1
SCHEMBL7016138 0.78 TPSAB1 (0.41) TPSAB1F2F7F3PRSS1
SCHEMBL7016094 0.78 F2 (0.39) TPSAB1F2F7F3PRSS1
SCHEMBL7016098 0.76 F2 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL7021982 0.75 TPSAB1 (0.45) TPSAB1F2F7F3PRSS1
SCHEMBL7029481 0.74 F2 (0.46) F2PRSS1

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