SCHEMBL8069366

SCHEMBL8069366

Fc1cc2[nH]c(S)nc2cc1N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.66
ALDH1A1 P00352 2/20 0.42
EGLN1 Q9GZT9 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 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 0.88 OPRL1 (0.51) OPRL1ALDH1A1EGLN1
SCHEMBL8070777 0.87 EGLN1 (0.52) OPRL1EGLN1SMN1; SMN2
SCHEMBL8071080 0.87 EGLN1 (0.52) OPRL1EGLN1SMN1; SMN2
SCHEMBL8069092 0.84 OPRL1 (0.57) OPRL1ALDH1A1EGLN1MAPTLMNA
SCHEMBL8070730 0.83 OPRL1 (0.47) OPRL1ALDH1A1EGLN1
SCHEMBL8074378 0.82 OPRL1 (0.46) OPRL1ALDH1A1EGLN1
SCHEMBL8071093 0.80 OPRL1 (0.44) OPRL1ALDH1A1EGLN1MAPTGAA
SCHEMBL8070660 0.78 OPRL1 (0.46) OPRL1ALDH1A1EGLN1MAPTGAA
SCHEMBL8074019 0.76 OPRL1 (0.44) OPRL1EGLN1
SCHEMBL8074040 0.75 ALDH1A1 (0.47) OPRL1ALDH1A1EGLN1MAPTGAA

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