SCHEMBL7511954

SCHEMBL7511954

O=c1[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.64
CHRM1 P11229 3/20 0.62
CHRM2 P08172 2/20 0.62
CHRM4 P08173 2/20 0.62
CHRM3 P20309 1/20 0.62
OPRM1 P35372 8/20 0.59
OPRK1 P41145 3/20 0.59
OPRL1 P41146 3/20 0.59
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HSD11B1 P28845 1/20 0.56
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
PLD1 Q13393 1/20 0.54

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
SCHEMBL319049 0.92 CHRM1 (0.70) SLC18A3CHRM1CHRM2CHRM4CHRM3
SCHEMBL8863397 0.92 CHRM1 (0.76) SLC18A3CHRM1CHRM2CHRM4CHRM3
SCHEMBL8863399 0.92 CHRM1 (0.76) SLC18A3CHRM1CHRM2CHRM4CHRM3
SCHEMBL8863438 0.92 CHRM1 (0.76) SLC18A3CHRM1CHRM2CHRM4CHRM3
SCHEMBL3142425 0.85 CHRM1 (0.81) SLC18A3CHRM1CHRM2CHRM4CHRM3
SCHEMBL4084782 0.85 CHRM1 (0.76) SLC18A3CHRM1CHRM2CHRM4CHRM3
SCHEMBL342295 0.84 CHRM1 (0.62) SLC18A3CHRM1CHRM2CHRM4CHRM3
SCHEMBL16455979 0.84 CHRM1 (0.62) SLC18A3CHRM1CHRM2CHRM4CHRM3
SCHEMBL22605478 0.84 CHRM1 (0.62) SLC18A3CHRM1CHRM2CHRM4CHRM3
SCHEMBL2604450 0.84 CHRM1 (0.62) SLC18A3CHRM1CHRM2CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed