SCHEMBL4958259

SCHEMBL4958259

O=C(OCC(c1ccccc1Cl)n1ncnn1)N1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK14 Q16539 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
CCR3 P51677 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SPR P35270 1/20 0.38
GRIN2B Q13224 1/20 0.37
MGLL Q99685 1/20 0.37
CHRM2 P08172 1/20 0.37
DRD4 P21917 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
SCHEMBL4959675 0.95 FAAH (0.39) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4957412 0.95 FAAH (0.47) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4959460 0.93 MEN1 (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4958536 0.92 FAAH (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4958808 0.92 SMN1; SMN2 (0.43) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4958347 0.91 CCR3 (0.42) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4963114 0.87 TACR1 (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4959706 0.87 MGLL (0.46) FAAHMEN1KMT2AMGLL
SCHEMBL4962072 0.86 CCR3 (0.40) FAAHPRMT5WDR77CCR3CHRM2
SCHEMBL4958443 0.86 POLB (0.39) 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
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed