SCHEMBL14613631

SCHEMBL14613631

CCc1ccc2ccn(-c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47
ALOX15B O15296 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BIRC5 O15392 1/20 0.41
HTR7 P34969 1/20 0.41
F2 P00734 4/20 0.39
F10 P00742 4/20 0.39
PRSS1 P07477 4/20 0.39
PLA2G4A P47712 1/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
TP53 P04637 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL22185251 0.87 PLA2G4A (0.48) CYP1A2CYP2A6ALOX15BCYP3A4GAA
SCHEMBL12160840 0.79 BIRC5 (0.61) CYP1A2CYP2A6ALOX15BCYP3A4GAA
SCHEMBL21257470 0.79 BIRC5 (0.47) CYP1A2CYP2A6BIRC5F2F10
SCHEMBL5661673 0.77 FGFR1 (0.47) CYP1A2CYP2A6GAAL3MBTL1BIRC5
SCHEMBL23982987 0.77 HPGD (0.55) GAAL3MBTL1PLA2G4ANOTUMHDAC8
SCHEMBL18926984 0.76 KMT2A (0.47) GAACYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10289623 0.75 HTR6 (0.57) CYP1A2CYP2A6HTR7HDAC8HDAC3
SCHEMBL15712770 0.74 SMN1; SMN2 (0.55) CYP3A4L3MBTL1BIRC5PLA2G4AHDAC8
SCHEMBL15741202 0.74 CDC7 (0.49) CYP1A2CYP2A6ALOX15BCYP3A4CYP2D6
SCHEMBL157573 0.74 BIRC5 (0.62) CYP2A6GAABIRC5PLA2G4A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176201-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-13 US disclosed