SCHEMBL6580272

SCHEMBL6580272

O=c1[nH]c2ccccc2n1C1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.66
CHRM1 P11229 8/20 0.65
CHRM2 P08172 5/20 0.65
CHRM4 P08173 4/20 0.65
CHRM3 P20309 3/20 0.65
SLC18A3 Q16572 1/20 0.57
OPRK1 P41145 3/20 0.56
OPRL1 P41146 2/20 0.56
DRD2 P14416 3/20 0.53
CHRM5 P08912 2/20 0.53
HTR2C P28335 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1B P35368 1/20 0.53
OPRD1 P41143 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
SLC22A2 O15244 1/20 0.53
MLNR O43193 1/20 0.53
CACNA1G O43497 1/20 0.53

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
SCHEMBL6580649 0.89 OPRM1 (0.62) OPRM1CHRM1CHRM2CHRM4CHRM3
SCHEMBL9057503 0.83 OPRM1 (0.91) OPRM1CHRM1CHRM2CHRM4CHRM3
SCHEMBL9057334 0.83 OPRM1 (0.91) OPRM1CHRM1CHRM2CHRM4CHRM3
SCHEMBL1831981 0.82 OPRM1 (0.58) OPRM1CHRM1CHRM2CHRM4CHRM3
SCHEMBL9058026 0.80 OPRM1 (0.64) OPRM1CHRM1CHRM2CHRM4CHRM3
SCHEMBL9057719 0.80 OPRM1 (0.64) OPRM1CHRM1CHRM2CHRM4CHRM3
SCHEMBL3895786 0.80 CHRM1 (0.92) OPRM1CHRM1CHRM2CHRM4CHRM3
SCHEMBL7961184 0.80 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1
SCHEMBL8677294 0.80 CHRM1 (0.69) OPRM1CHRM1CHRM2CHRM4CHRM3
SCHEMBL4636037 0.79 CHRM1 (1.00) OPRM1CHRM1CHRM2CHRM4CHRM3

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
EP-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 EP disclosed
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed