SCHEMBL5633434

SCHEMBL5633434

NCc1ccc(-c2ccccc2-c2cccc(C(c3ccccc3)(c3ccccc3)c3nnn[nH]3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
SGK1 O00141 1/20 0.37
CSNK2A1 P68400 2/20 0.35
DPP4 P27487 1/20 0.34
AKT2 P31751 1/20 0.34
CD274 Q9NZQ7 1/20 0.32
MAOB P27338 1/20 0.32
KIF11 P52732 1/20 0.32
BACE1 P56817 1/20 0.31
CYP2A6 P11509 1/20 0.31
PRKCQ Q04759 1/20 0.31
TLR8 Q9NR97 1/20 0.31
ADRB2 P07550 1/20 0.30

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
SCHEMBL1132121 0.90
SCHEMBL4633672 0.81 PTPN1 (0.40) KIF11
Biphenyl SCHEMBL9539322 0.76 ALDH1A1 (0.33) AKT2KIF11
SCHEMBL198144 0.75 KCNN4 (0.32)
SCHEMBL1132111 0.73 TAAR1 (0.43) TAAR1SGK1CSNK2A1DPP4AKT2
Hydrochloric Acid SCHEMBL1131050 0.72 AKT2 (0.42) TAAR1SGK1CSNK2A1DPP4AKT2
SCHEMBL16975529 0.72 KIF11 (0.37) KIF11
Benzylamine SCHEMBL27675029 0.72 DPP4 (0.43) TAAR1SGK1CSNK2A1DPP4AKT2
SCHEMBL5362598 0.70 TAAR1 (0.77) TAAR1SGK1CSNK2A1DPP4MAOB
SCHEMBL596244 0.70 CSNK2A1 (0.49) TAAR1SGK1CSNK2A1DPP4AKT2

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-2007052301-A2 PROCESS FOR THE PREPARATION OF IRBESARTAN ALEMBIC LIMITED (IN) 2007-05-10 WO disclosed