SCHEMBL7785286

SCHEMBL7785286

Cc1ccc(C(N[C@H](C)c2cc(F)cc(F)c2)c2cccc(N)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
KRAS P01116 1/20 0.32
SOS1 Q07889 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
SLC6A9 P48067 2/20 0.32
PDPK1 O15530 1/20 0.32
RPS6KB1 P23443 1/20 0.32
SLC6A2 P23975 5/20 0.31
SLC6A4 P31645 5/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 3/20 0.31
SLC6A3 Q01959 3/20 0.31
KCNH2 Q12809 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
NR1I2 O75469 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL7785487 0.92 CASR (0.36) LMNAKRASSOS1MAPKAPK2SLC6A2
SCHEMBL7787615 0.92 MAPKAPK2 (0.33) KRASSOS1MAPKAPK2SLC6A9PDPK1
SCHEMBL7780536 0.91 IDO1 (0.39) LMNAMAPKAPK2SLC6A2SLC6A4IDO1
SCHEMBL7780766 0.91 IDO1 (0.39) LMNAMAPKAPK2SLC6A2SLC6A4IDO1
SCHEMBL7785478 0.88 ADRB2 (0.36) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL7785223 0.88 ADRB2 (0.36) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL7785574 0.86 ALDH1A1 (0.45) LMNAKRASSOS1SLC6A9CYP3A4
SCHEMBL7785129 0.86 ALDH1A1 (0.45) LMNAKRASSOS1SLC6A9CYP3A4
SCHEMBL7780705 0.86 LMNA (0.34) LMNAKRASSOS1MAPKAPK2PDPK1
SCHEMBL7785553 0.86 LMNA (0.34) LMNAKRASSOS1MAPKAPK2PDPK1

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