SCHEMBL7915438

SCHEMBL7915438

COc1ccc(C(c2ccc(OC)cc2)N2CCN(C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.61
CHRM2 P08172 3/20 0.61
ADRA2A P08913 3/20 0.61
CHRM1 P11229 3/20 0.61
DRD1 P21728 3/20 0.61
DRD3 P35462 3/20 0.61
SLC6A3 Q01959 3/20 0.61
KCNH2 Q12809 3/20 0.61
CYP2D6 P10635 3/20 0.61
CHRM4 P08173 1/20 0.61
CHRM5 P08912 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM3 P20309 1/20 0.61
ADRA1D P25100 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HRH1 P35367 1/20 0.61
HTR2B P41595 1/20 0.61
HTR1A P08908 2/20 0.56
TBXA2R P21731 2/20 0.56

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
SCHEMBL15340829 0.85 NPSR1 (0.49) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL10365263 0.80 ALDH1A1 (0.55) OPRM1CHRM2ADRA2ADRD3KCNH2
SCHEMBL27356097 0.80 OPRM1 (0.53) OPRM1CYP2D6OPRD1OPRK1OPRL1
SCHEMBL10674933 0.80 CACNA2D1 (0.55) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL9257372 0.80 OPRM1 (0.54) OPRM1CYP2D6OPRD1OPRK1OPRL1
SCHEMBL8122955 0.80 OPRD1 (0.65) OPRM1CYP2D6OPRD1OPRK1OPRL1
SCHEMBL2056220 0.80 MEN1 (0.56) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL8305212 0.80 CACNA2D1 (0.54) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL27015356 0.79 OPRM1 (0.68) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL9439094 0.78 OPRM1 (0.53) OPRM1CHRM2ADRA2ACHRM1DRD1

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
US-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 EP disclosed