SCHEMBL7990698

SCHEMBL7990698

Cc1c(Cl)nc(NCN2CCCC[C@@H]2CC2CC2)c(=O)n1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 12/20 0.37
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
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7023796 0.85 TPSAB1 (0.41) TPSAB1F2F7F3PRSS1
SCHEMBL7444854 0.75 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7025656 0.71 PRMT5 (0.38) TPSAB1ALDH1A1TSHR
SCHEMBL7134370 0.69 F2 (0.41) TPSAB1F2F7F3PRSS1
SCHEMBL7020466 0.68 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7029085 0.68 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7018545 0.68 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7398979 0.66 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7021757 0.65 TPSAB1 (0.42) TPSAB1F2F7F3PRSS1
SCHEMBL7021913 0.64 F2 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed