SCHEMBL8863294

SCHEMBL8863294

COc1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CCN(C(=O)c3cncnc3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.60
CHRM1 P11229 8/20 0.57
OPRM1 P35372 1/20 0.51
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL9058164 0.96 CHRM1 (0.58) HSD11B1CHRM1OPRM1TNKSPARP1
SCHEMBL8863920 0.90 CHRM1 (0.54) HSD11B1CHRM1OPRM1CHRM2CHRM4
SCHEMBL8863918 0.88 CHRM1 (0.66) HSD11B1CHRM1OPRM1TNKSPARP1
SCHEMBL8863851 0.88 CHRM1 (0.54) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8863532 0.87 CHRM1 (0.60) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8863625 0.86 CHRM1 (0.76) HSD11B1CHRM1OPRM1
SCHEMBL8863533 0.86 HSD11B1 (0.61) HSD11B1CHRM1OPRM1
SCHEMBL8863373 0.85 CHRM1 (0.57) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8863412 0.85 CHRM1 (0.57) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8863917 0.85 CHRM1 (0.56) HSD11B1CHRM1CHRM2CHRM4CHRM5

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
WO-1996013262-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1996-05-09 WO claimed
US-5691323-A BENZIMIDAZOL-2-ONES MERCK & CO., INC. (US) 1997-11-25 US disclosed
US-5574044-A BENZIMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF MYOPIA MERCK & CO., INC. (US) 1996-11-12 US disclosed
WO-1996013262-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1996-05-09 WO disclosed