SCHEMBL29200058

SCHEMBL29200058

CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2)C[C@@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.48
P2RY14 Q15391 1/20 0.43
RORC P51449 1/20 0.42
CETP P11597 1/20 0.41
SRC P12931 8/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAPT P10636 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
SCHEMBL21619693 1.00 TACR1 (0.48) TACR1P2RY14RORCCETPSRC
SCHEMBL28534495 1.00 TACR1 (0.48) TACR1P2RY14RORCCETPSRC
SCHEMBL28532289 0.91 CETP (0.48) TACR1P2RY14RORCCETPMAPT
SCHEMBL28532292 0.91 CETP (0.48) TACR1P2RY14RORCCETPMAPT
SCHEMBL23632114 0.89 TACR1 (0.48) TACR1P2RY14RORCNR1H2NR1H3
SCHEMBL28909376 0.89 TACR1 (0.48) TACR1P2RY14RORCNR1H2NR1H3
SCHEMBL31599304 0.89 TACR1 (0.48) TACR1P2RY14RORCNR1H2NR1H3
SCHEMBL28536977 0.88 TACR1 (0.43) TACR1P2RY14RORCCETPNR1H2
SCHEMBL29523008 0.88 TACR1 (0.50) TACR1RORCSRCNR1H2
SCHEMBL29035189 0.88 TACR1 (0.50) TACR1RORCSRCNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed