SCHEMBL4753477

SCHEMBL4753477

O=CC(NCc1cc(-c2ccccc2)on1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.46
SCD O00767 11/20 0.43
DCTPP1 Q9H773 2/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK14 Q16539 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 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
SCHEMBL4753766 0.92 SCD5 (0.42) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL1221577 0.83 SCD5 (0.49) SCD5SCDDCTPP1CYP2C9CYP2C19
SCHEMBL4753878 0.83 CYP2C9 (0.47) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL4753472 0.76 SCN5A (0.47) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1222564 0.75 SCD5 (0.44) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL1222168 0.74 SCD5 (0.54) SCD5SCDDCTPP1NPC1RAB9A
SCHEMBL4753470 0.71 SCD (0.51) SCDCYP2C9CYP2C19HTR2BMAPK14
Hydrochloric Acid SCHEMBL3466569 0.71 SCD (0.50) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL221663 0.70 POLB (0.47) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1221562 0.68 NPC1 (0.58) SCD5SCDDCTPP1NPC1RAB9A

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
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed