SCHEMBL13667455

SCHEMBL13667455

O=C(O[C@H](Cn1ncnn1)c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2B P41595 1/20 0.47
MAPK14 Q16539 1/20 0.47
PKM P14618 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.41
SPR P35270 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4306732 1.00 FAAH (0.47) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL13667456 1.00 FAAH (0.47) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4309032 0.95 FAAH (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4304784 0.94 FAAH (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4310470 0.93 MEN1 (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4314273 0.92 SMN1; SMN2 (0.45) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4308566 0.91 CCR3 (0.42) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4311381 0.90 POLB (0.39) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4304494 0.90 FAAH (0.39) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4314172 0.89 CYP2C9 (0.50) FAAHCYP2C9CYP2C19HTR2BMAPK14

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
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed