SCHEMBL31152969

SCHEMBL31152969

CCOC(=O)C(C)(C)Oc1c(C)cc(CN2CCN(Cc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ PPARD Q03181 12/20 0.52
▸ PPARA Q07869 13/20 0.50
▸ PPARG P37231 10/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HRH2 P25021 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ LSS P48449 1/20 0.46

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
SCHEMBL31153111 0.97 TSHR (0.55) TSHRPPARDPPARAPPARGALDH1A1
SCHEMBL31153090 0.89 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL31194707 0.89 PPARD (0.64) PPARDPPARAPPARGALDH1A1
SCHEMBL31153011 0.87 PPARA (0.58) TSHRPPARDPPARAPPARG
SCHEMBL31153141 0.86 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL31153048 0.86 PPARG (0.57) PPARDPPARAPPARG
SCHEMBL31153117 0.86 PPARD (0.68) PPARDPPARAPPARGALDH1A1
SCHEMBL31152967 0.84 PPARA (0.58) TSHRPPARDPPARAPPARGALDH1A1
SCHEMBL31153122 0.84 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL31153003 0.83 PPARA (0.57) PPARDPPARAPPARG

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
WO-2024175026-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL USE THEREOF 哈尔滨三联药业股份有限公司 2024-08-29 — — WO disclosed
CN-118546109-A Nitrogen-containing heterocyclic compound and medical application thereof 哈尔滨三联药业股份有限公司 2024-08-27 — — CN disclosed
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