SCHEMBL7780395

SCHEMBL7780395

CC[C@@H](NC(c1ccc(F)cc1)c1cccc(N)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A9 P48067 3/20 0.41
TACR3 P29371 4/20 0.39
SLC6A5 Q9Y345 2/20 0.37
ALDH1A1 P00352 1/20 0.36
KCNK3 O14649 6/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL7785680 0.83 NPC1 (0.41) KMT2ASLC6A9SLC6A5ALDH1A1EGFR
SCHEMBL27553469 0.79 AKR1C3 (0.43) MEN1KMT2ASLC6A9ALDH1A1SLC6A2
SCHEMBL7787470 0.79 AKR1C3 (0.43) MEN1KMT2ASLC6A9ALDH1A1SLC6A2
SCHEMBL28073510 0.77 MTOR (0.48) MEN1KMT2AALDH1A1
SCHEMBL7780329 0.77 ALDH1A1 (0.39) KMT2ASLC6A9SLC6A5ALDH1A1
SCHEMBL7787615 0.77 MAPKAPK2 (0.33) SLC6A9SLC6A5SLC6A2SLC6A4
SCHEMBL7787788 0.77 CASR (0.37) SLC6A9SLC6A5ALDH1A1KCNK3SLC6A2
SCHEMBL28277977 0.75 LOXL2 (0.42) MEN1KMT2AALDH1A1
SCHEMBL7780766 0.75 IDO1 (0.39) ALDH1A1SLC6A2SLC6A4CPN1CPB2
SCHEMBL7780426 0.75 SLC6A2 (0.41) MEN1KMT2AALDH1A1SLC6A2SLC6A4

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