SCHEMBL8445171

SCHEMBL8445171

O=c1ccc2ccccc2n1CCCC1CCN(CC2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.49
OPRM1 P35372 5/20 0.47
OPRL1 P41146 5/20 0.47
OPRK1 P41145 3/20 0.47
CCR5 P51681 1/20 0.43
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8442411 0.88 TMEM97 (0.47) OPRM1OPRL1OPRK1
SCHEMBL8443521 0.88 DRD2 (0.48) OPRM1OPRL1OPRK1
SCHEMBL8445198 0.86 OPRM1 (0.47) OPRM1OPRL1OPRK1CDK4CCND1
SCHEMBL8442952 0.84 TMEM97 (0.44)
SCHEMBL8445196 0.81 SCN7A (0.43) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL4090351 0.81 CHRM1 (0.53) NPY1R
SCHEMBL28404370 0.80 KDM4E (0.59) OPRM1OPRL1OPRK1CDK4CCND1
SCHEMBL8443137 0.78 NPY1R (0.47) NPY1RHPGD
SCHEMBL8442501 0.77 MCHR1 (0.45) NPY1RALDH1A1
SCHEMBL8442954 0.74 DRD2 (0.36) KDM4EALDH1A1NPSR1HSD17B10HPGD

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-0934932-A1 QUINOLINE DERIVATIVES AND PSYCHOTROPIC AGENT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-08-11 EP claimed
EP-0934932-A1 QUINOLINE DERIVATIVES AND PSYCHOTROPIC AGENT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-08-11 EP disclosed