SCHEMBL7024445

SCHEMBL7024445

Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)c(Cl)nc(NCN4CCOCC4)c3=O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.45
F7 P08709 4/20 0.45
F3 P13726 4/20 0.45
PRSS1 P07477 1/20 0.41
ENPP2 Q13822 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
TPSAB1 Q15661 3/20 0.39
P2RX3 P56373 1/20 0.38
CNR2 P34972 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
AVPR1B P47901 1/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 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 0.84 F2 (0.40) F2F7F3PRSS1ENPP2
SCHEMBL7027523 0.83 F2 (0.39) F2F7F3PRSS1ENPP2
SCHEMBL7022361 0.82 TPSAB1 (0.40) F2F7F3PRSS1TPSAB1
SCHEMBL7022356 0.81 TPSAB1 (0.41) F2F7F3PRSS1ENPP2
SCHEMBL7022726 0.80 F2 (0.43) F2F7F3PRSS1TPSAB1
SCHEMBL7016098 0.79 F2 (0.42) F2F7F3PRSS1TPSAB1
SCHEMBL7019325 0.79 F2 (0.53) F2PRSS1
SCHEMBL7016138 0.79 TPSAB1 (0.41) F2F7F3PRSS1ALDH1A1
SCHEMBL7016094 0.77 F2 (0.39) F2F7F3PRSS1ALDH1A1
SCHEMBL7023793 0.71 F2 (0.42) F2F7F3PRSS1MEN1

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