SCHEMBL8445196

SCHEMBL8445196

O=c1ccc2ccccc2n1CCN1CCC(CC2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 2/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8442952 0.93 TMEM97 (0.44) ABCB1
SCHEMBL8445198 0.88 OPRM1 (0.47) SCN7ACNR2CNR1OPRM1OPRK1
SCHEMBL31033172 0.84 SCN7A (0.56) SCN7ASCN5ASCN2ASCN8AKMT2A
SCHEMBL8445200 0.82 KDM4E (0.37) SCN7ACNR2CNR1SCN5ASCN2A
SCHEMBL708145 0.82 CA12 (0.41) SCN7ACNR2CNR1SCN5ASCN2A
SCHEMBL8445171 0.81 NPY1R (0.49) OPRM1OPRK1OPRL1HPGDKDM4E
SCHEMBL8443521 0.81 DRD2 (0.48) OPRM1OPRK1OPRL1ABCB1
SCHEMBL8442411 0.81 TMEM97 (0.47) OPRM1OPRK1OPRL1ABCB1
SCHEMBL28404370 0.78 KDM4E (0.59) CNR2CNR1OPRM1OPRK1OPRL1
SCHEMBL8442954 0.78 DRD2 (0.36) CNR2HPGDPKMKDM4EALDH1A1

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