SCHEMBL8073907

SCHEMBL8073907

COCc1ccnc(C[S+]([O-])c2nc3cc(N4CCCCC4)c(F)cc3[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.37
EGLN1 Q9GZT9 1/20 0.37
FGFR1 P11362 4/20 0.35
FGFR2 P21802 2/20 0.35
FGFR3 P22607 2/20 0.35
KDR P35968 2/20 0.35
SRPK1 Q96SB4 1/20 0.32
TPH1 P17752 1/20 0.31
TPH2 Q8IWU9 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
SCHEMBL8059927 0.81 ATP4A (0.42) OPRL1EGLN1FGFR1FGFR2FGFR3
SCHEMBL8061865 0.81 ATP4A (0.42) OPRL1EGLN1FGFR1FGFR2FGFR3
SCHEMBL8073957 0.80 ATP4A (0.42) OPRL1EGLN1FGFR1FGFR2FGFR3
SCHEMBL8074411 0.76 NPC1 (0.40) OPRL1EGLN1FGFR1FGFR2FGFR3
SCHEMBL8060015 0.76 PDE10A (0.40) OPRL1EGLN1FGFR1FGFR2FGFR3
SCHEMBL8074093 0.72 ATP4A (0.44) OPRL1FGFR1FGFR2FGFR3KDR
SCHEMBL8069345 0.71 CYP11B1 (0.38)
SCHEMBL8071077 0.71 ATP4A (0.40) OPRL1FGFR1FGFR2FGFR3KDR
SCHEMBL8071076 0.70 ATP4A (0.39) OPRL1FGFR1FGFR2FGFR3KDR
SCHEMBL8059765 0.69 OPRL1 (0.41) OPRL1FGFR1FGFR2FGFR3KDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 EP disclosed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 WO disclosed