SCHEMBL2647549

SCHEMBL2647549

FC(F)(F)c1cccc(CBr)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 2/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
MAPT P10636 2/20 0.44
ACP3 P15309 1/20 0.44
CETP P11597 1/20 0.44
MIF P14174 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL29355355 0.86 TAAR1 (0.60) MEN1KMT2ATAAR1IDO1HTR2A
SCHEMBL4567 0.86 TAAR1 (0.60) MEN1KMT2ATAAR1IDO1HTR2A
SCHEMBL11027533 0.84 TAAR1 (0.58) MEN1KMT2ATAAR1IDO1HTR2A
SCHEMBL2008094 0.84 TAAR1 (0.58) MEN1KMT2ATAAR1IDO1HTR2A
SCHEMBL28461107 0.81 ALDH1A1 (0.45) TAAR1IDO1MAPTALDH1A1TSHR
SCHEMBL19678032 0.81 ALDH1A1 (0.52) OPRM1ALDH1A1KDM4EGAATSHR
Bromide SCHEMBL160231 0.79 ALDH1A1 (0.50) OPRM1ALDH1A1KDM4EGAATSHR
SCHEMBL5972931 0.78 TRPA1 (0.45) MEN1KMT2ATAAR1IDO1MIF
Benzyl Bromide SCHEMBL1043932 0.76 TSHR (0.70) TAAR1IDO1HTR2AALDH1A1KDM4E
SCHEMBL4410065 0.76 TRPA1 (0.46) TAAR1IDO1ALDH1A1TSHRCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed