SCHEMBL4963114

SCHEMBL4963114

O=C(OCC(c1ccccc1Cl)n1ncnn1)N1CCC(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.41
LIPE Q05469 1/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
MAPK14 Q16539 3/20 0.38
HTR2B P41595 2/20 0.38
MGLL Q99685 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
FAAH O00519 1/20 0.36
GHSR Q92847 1/20 0.35
GRIN2B Q13224 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL4957412 0.88 FAAH (0.47) CYP2C9CYP2C19MAPK14HTR2BPRMT5
SCHEMBL4959460 0.87 MEN1 (0.41) CYP2C9CYP2C19MAPK14HTR2BPRMT5
SCHEMBL4958347 0.87 CCR3 (0.42) CYP2C9CYP2C19MAPK14HTR2BPRMT5
SCHEMBL4958259 0.87 FAAH (0.41) CYP2C9CYP2C19MAPK14HTR2BMGLL
SCHEMBL4958536 0.86 FAAH (0.41) CYP2C9CYP2C19MAPK14HTR2BPRMT5
SCHEMBL4958808 0.84 SMN1; SMN2 (0.43) CYP2C9CYP2C19MAPK14HTR2BPRMT5
SCHEMBL4959675 0.82 FAAH (0.39) CYP2C9CYP2C19MAPK14HTR2BMGLL
SCHEMBL4958443 0.81 POLB (0.39) CYP2C9CYP2C19MAPK14HTR2BPRMT5
SCHEMBL4308068 0.81 LIPE (0.38) TACR1LIPECYP2C9CYP2C19MAPK14
SCHEMBL4958190 0.79 MGLL (0.42) CYP2C19MGLLKMT2AMEN1

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