SCHEMBL7785653

SCHEMBL7785653

C[C@@H](NC(c1ccc(Cl)cc1)c1cccc(N)c1)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
ADRB2 P07550 1/20 0.36
CASR P41180 1/20 0.35
AKT1 P31749 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRL1 P41146 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL7785478 0.92 ADRB2 (0.36) SLC6A2SLC6A4ADRB2AKT1CYP3A4
SCHEMBL7785223 0.92 ADRB2 (0.36) SLC6A2SLC6A4ADRB2AKT1CYP3A4
SCHEMBL7787788 0.91 CASR (0.37) SLC6A2SLC6A4CASR
SCHEMBL7785101 0.90 ADRB2 (0.36) SLC6A2SLC6A4ADRB2AKT1CYP3A4
SCHEMBL7780426 0.89 SLC6A2 (0.41) SLC6A2SLC6A4CASRMEN1KMT2A
SCHEMBL28746788 0.89 SLC6A2 (0.41) SLC6A2SLC6A4CASRMEN1KMT2A
SCHEMBL7785487 0.88 CASR (0.36) SLC6A2SLC6A4CASR
SCHEMBL7787460 0.87 MEN1 (0.43) SLC6A2SLC6A4ADRB2AKT1CYP3A4
SCHEMBL7785573 0.86 ADRB2 (0.35) SLC6A2SLC6A4ADRB2AKT1CYP3A4
SCHEMBL7789259 0.86 ADRB2 (0.35) SLC6A2SLC6A4ADRB2AKT1CYP3A4

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed