SCHEMBL4746204

SCHEMBL4746204

NCC1(C(c2ccccc2)c2ccccc2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.42
OPRM1 P35372 1/20 0.41
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TAAR1 Q96RJ0 4/20 0.38
HTR2A P28223 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL7363061 0.75 USP2 (0.50) USP2CYP2C9CYP2D6CYP1A2CYP3A4
SCHEMBL4749593 0.72 USP2 (0.47) USP2CYP2C9CYP2D6CYP1A2CYP3A4
SCHEMBL1587083 0.69 CYP3A4 (0.39) USP2CYP2C9CYP2D6CYP1A2CYP3A4
SCHEMBL7249863 0.69 POLB (0.46) CYP1A2MEN1KMT2AALDH1A1
SCHEMBL7249473 0.68 ANPEP (0.45) CYP2C9CYP2C19MEN1KMT2ATSHR
SCHEMBL3421920 0.68 MAOA (0.73) OPRM1TAAR1HTR2AMAOAMAOB
SCHEMBL4749321 0.68 USP2 (0.44) USP2CYP2C9CYP2D6CYP1A2CYP3A4
SCHEMBL10639868 0.67 HRH1 (0.43) USP2CYP2C9CYP2D6CYP1A2CYP3A4
SCHEMBL3236880 0.67 DPP4 (0.46) TAAR1HTR2AMAOAMAOBSLC6A2
SCHEMBL8718738 0.67 NPSR1 (0.40) CYP1A2MEN1KMT2ATAAR1HTR2A

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-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed