SCHEMBL8069092

SCHEMBL8069092

CN1CCN(c2cc3nc(S)[nH]c3cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.57
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
KDR P35968 1/20 0.49
HRH4 Q9H3N8 1/20 0.41
SRPK1 Q96SB4 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8068945 0.87 OPRL1 (0.51) OPRL1FGFR1FGFR2FGFR3KDR
SCHEMBL8070777 0.86 EGLN1 (0.52) OPRL1EGLN1NPC1RAB9ASMN1; SMN2
SCHEMBL8071080 0.86 EGLN1 (0.52) OPRL1EGLN1NPC1RAB9ASMN1; SMN2
SCHEMBL8069366 0.84 OPRL1 (0.66) OPRL1EGLN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8070660 0.82 OPRL1 (0.46) OPRL1FGFR1FGFR2FGFR3KDR
SCHEMBL8070730 0.82 OPRL1 (0.47) OPRL1FGFR1FGFR2FGFR3KDR
SCHEMBL8074378 0.81 OPRL1 (0.46) OPRL1FGFR1FGFR2FGFR3KDR
SCHEMBL8071093 0.79 OPRL1 (0.44) OPRL1FGFR1FGFR2FGFR3KDR
SCHEMBL8074040 0.79 ALDH1A1 (0.47) OPRL1EGLN1ALDH1A1MAPT
SCHEMBL2925796 0.76 HRH4 (0.41) OPRL1HRH4NPC1RAB9AALDH1A1

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