SCHEMBL7015960

SCHEMBL7015960

Cc1c(Cl)nc(NCC2CN(Cc3ccccc3)CCO2)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.41
DRD4 P21917 10/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
F2 P00734 2/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PRSS1 P07477 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL7021982 0.88 TPSAB1 (0.45) TPSAB1F2F7F3PRSS1
SCHEMBL7023789 0.85 TPSAB1 (0.48) TPSAB1F2F7F3PRSS1
SCHEMBL7023793 0.83 F2 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL7015961 0.82 TPSAB1 (0.40) TPSAB1F2F7F3PRSS1
SCHEMBL8205180 0.81 TPSAB1 (0.52) TPSAB1F2F7F3PRSS1
SCHEMBL7023919 0.80 TPSAB1 (0.47) TPSAB1F2F7F3PRSS1
SCHEMBL7694668 0.80 TPSAB1 (0.47) TPSAB1F2F7F3PRSS1
SCHEMBL7021913 0.79 F2 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL7019224 0.79 TPSAB1 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL7027708 0.79 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1

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