SCHEMBL31599294

SCHEMBL31599294

CC(C)(C)OC(=O)N1C[C@@H](c2ccc(C(F)(F)F)cc2)CC[C@H]1COC(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.42
P2RY14 Q15391 1/20 0.40
RORC P51449 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
MAPT P10636 1/20 0.37
PDE4B Q07343 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
SCHEMBL30075118 1.00 TACR1 (0.42) TACR1P2RY14RORCNR1H2NR1H3
SCHEMBL28537462 1.00 TACR1 (0.42) TACR1P2RY14RORCNR1H2NR1H3
SCHEMBL23631994 0.86 HTR2C (0.36)
SCHEMBL28619733 0.86 HTR2C (0.36)
SCHEMBL23632114 0.86 TACR1 (0.48) TACR1P2RY14RORCNR1H2NR1H3
SCHEMBL31599304 0.86 TACR1 (0.48) TACR1P2RY14RORCNR1H2NR1H3
SCHEMBL28909376 0.86 TACR1 (0.48) TACR1P2RY14RORCNR1H2NR1H3
SCHEMBL28542462 0.85 SSTR4 (0.38) TACR1GPR119
SCHEMBL30474445 0.85 SSTR4 (0.38) TACR1GPR119
SCHEMBL23631983 0.85 GPR119 (0.40) TACR1NR1H2NR1H3GPR119

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-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed