SCHEMBL20568328

SCHEMBL20568328

CC(C)N(Cc1cc(N)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CETP P11597 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
SERPINE1 P05121 3/20 0.38
BMP1 P13497 1/20 0.37
EPHX1 P07099 1/20 0.36

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
SCHEMBL5428175 0.81 TACR1 (0.52) TACR1SERPINE1
SCHEMBL27385426 0.81 TACR1 (0.42) TACR1MEN1KMT2ASERPINE1
SCHEMBL20568862 0.79 CETP (0.45) TACR1CETPBMP1
SCHEMBL546112 0.79 TACR1 (0.41) TACR1MEN1KMT2ASERPINE1
SCHEMBL788092 0.74 TACR1 (0.40) TACR1
SCHEMBL30950869 0.74 TACR1 (0.40) TACR1
Hydrochloric Acid SCHEMBL5913029 0.72 IDO1 (0.42) TACR1
Hydrochloric Acid SCHEMBL787855 0.72 IDO1 (0.42) TACR1
SCHEMBL545967 0.71 TACR1 (0.43) TACR1MEN1KMT2A
SCHEMBL6678261 0.71 CETP (0.43) TACR1CETP

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
EP-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO disclosed