SCHEMBL8445201

SCHEMBL8445201

O=c1ccc2ccccc2n1CCN1CCNCC1CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDE P14735 2/20 0.46
APAF1 O14727 1/20 0.46
ATM Q13315 3/20 0.45
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN7A Q01118 1/20 0.34
UBE2N P61088 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL8442413 0.94 APAF1 (0.45) IDEAPAF1ATMCYP2D6SLC6A2
SCHEMBL8443523 0.94 APAF1 (0.45) IDEAPAF1ATMCYP2D6SLC6A2
SCHEMBL8445200 0.86 KDM4E (0.37) NPSR1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL8442954 0.80 DRD2 (0.36) NPSR1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL8445196 0.78 SCN7A (0.43) CYP2D6NPSR1HPGDKDM4EALDH1A1
SCHEMBL8442952 0.73 TMEM97 (0.44)
SCHEMBL8445198 0.73 OPRM1 (0.47) NPSR1KDM4EALDH1A1HSD17B10SCN7A
SCHEMBL8446025 0.72 GRIN1 (0.48) IDEAPAF1ATM
SCHEMBL28404370 0.71 KDM4E (0.59) NPSR1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL30259518 0.71 APAF1 (0.53) IDEAPAF1ATMCYP2D6SLC6A2

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