SCHEMBL7023796

SCHEMBL7023796

Cc1c(Cl)nc(NC[C@H]2CCCCN2CC2CC2)c(=O)n1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 11/20 0.41
F2 P00734 2/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PRSS1 P07477 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
LTA4H P09960 1/20 0.32
TP53 P04637 2/20 0.32
MDM2 Q00987 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL7021799 0.85 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7990698 0.85 TPSAB1 (0.37) TPSAB1F2F7F3PRSS1
SCHEMBL7020466 0.82 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7018545 0.82 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7029085 0.82 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7026286 0.78 F2 (0.45) F2PRSS1
Hydrochloric Acid SCHEMBL7020182 0.78 F2 (0.45) F2PRSS1
Hydrochloric Acid SCHEMBL7018692 0.78 F2 (0.45) F2PRSS1
SCHEMBL7016138 0.77 TPSAB1 (0.41) TPSAB1F2F7F3PRSS1
SCHEMBL7025656 0.77 PRMT5 (0.38) TPSAB1ALDH1A1TSHR

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