SCHEMBL29149929

SCHEMBL29149929

CC(C)(C)OC(=O)N1CCC(c2cccc(OC3(c4ccc(Br)cc4F)CC3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.44
▸ USP30 Q70CQ3 1/20 0.40
▸ GPR119 Q8TDV5 5/20 0.39
▸ TP53 P04637 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ IDH2 P48735 1/20 0.38

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
SCHEMBL29149731 0.88 GPR119 (0.51) TRPV3GPR119
SCHEMBL29924828 0.88 GLP1R (0.35) —
SCHEMBL24329751 0.81 GLP1R (0.48) TRPV3
SCHEMBL24330224 0.80 TRPV3 (0.49) TRPV3GPR119SMN1; SMN2MAPT
SCHEMBL16434944 0.75 HTT (0.51) TRPV3GPR119THRBMAPTNPSR1
SCHEMBL24329325 0.75 GPR119 (0.48) TRPV3GPR119THRBMAPT
SCHEMBL26930284 0.75 GPR119 (0.56) TRPV3USP30GPR119TP53THRB
SCHEMBL21979953 0.75 TRPV3 (0.54) TRPV3USP30GPR119THRBSMN1; SMN2
SCHEMBL24329499 0.75 GLP1R (0.45) TRPV3GPR119TP53SMN1; SMN2
SCHEMBL29924836 0.75 GLP1R (0.43) GPR119

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
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 — — CN disclosed
WO-2022228490-A1 POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-11-03 — — WO disclosed
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