SCHEMBL4753766

SCHEMBL4753766

O=CC(NCc1cc(-c2ccccc2)on1)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.42
SCD O00767 4/20 0.42
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
EPHX2 P34913 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
CRHR1 P34998 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 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
SCHEMBL4753477 0.92 SCD5 (0.46) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL4753472 0.85 SCN5A (0.47) SCDSCN5ASCN9AEPHX2
SCHEMBL1222564 0.84 SCD5 (0.44) SCD5SCDEPHX2NPC1RAB9A
SCHEMBL4753491 0.76 SCN5A (0.38) SCDSCN5ASCN9AEPHX2
Hydrochloric Acid SCHEMBL3467141 0.76 SCN5A (0.38) SCDSCN5ASCN9AEPHX2
SCHEMBL1221687 0.76 SCD (0.49) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL1221577 0.75 SCD5 (0.49) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL4753878 0.75 CYP2C9 (0.47) SCD
SCHEMBL4753765 0.72 HCRTR1 (0.44) SCDSCN5ASCN9A
Hydrochloric Acid SCHEMBL3466376 0.72 HCRTR1 (0.43) SCDSCN5ASCN9A

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