SCHEMBL12980257

SCHEMBL12980257

CCCCCCCCC(=O)NCc1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.72
▸ FAAH O00519 4/20 0.62
▸ TRPV1 Q8NER1 2/20 0.61
▸ HTT P42858 1/20 0.60
▸ HPGD P15428 3/20 0.59
▸ CNR1 P21554 2/20 0.59
▸ CNR2 P34972 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ STS P08842 1/20 0.58
▸ MAPT P10636 1/20 0.57

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
SCHEMBL18328442 1.00 EPHX2 (0.72) EPHX2FAAHTRPV1HTTHPGD
SCHEMBL14102773 1.00 EPHX2 (0.72) EPHX2FAAHTRPV1HTTHPGD
SCHEMBL14102656 0.94 EPHX2 (0.65) EPHX2FAAHTRPV1HTTHPGD
SCHEMBL15915089 0.94 HPGD (0.67) EPHX2FAAHHTTHPGDALDH1A1
SCHEMBL31412952 0.92 FAAH (0.76) EPHX2FAAHTRPV1CNR1CNR2
SCHEMBL17334875 0.92 EPHX2 (0.62) EPHX2FAAHTRPV1HTTHPGD
SCHEMBL14102635 0.89 EPHX2 (0.59) EPHX2FAAHTRPV1HTTHPGD
SCHEMBL3809498 0.89 EPHX2 (0.84) EPHX2FAAHTRPV1HPGDCNR1
SCHEMBL2092775 0.87 CYP3A4 (0.61) EPHX2HTTHPGDALDH1A1MAPT
SCHEMBL27799721 0.85 HPGD (0.57) EPHX2FAAHHTTHPGDALDH1A1

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
WO-2013130013-A1 NOVEL COMPOUNDS AND USES THEREOF NANYANG POLYTECHNIC (SG) 2013-09-06 — — WO disclosed
WO-2010144055-A1 NOVEL COMPOUNDS AND USES THEREOF NANYANG POLYTECHNIC (SG) 2010-12-16 — — WO disclosed
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