SCHEMBL29692041

SCHEMBL29692041

N#Cc1ccc(N2CCC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.62
▸ HSD17B13 Q7Z5P4 1/20 0.51

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
SCHEMBL22570894 1.00 NR1H4 (0.62) NR1H4HSD17B13
SCHEMBL29692040 0.97 NR1H4 (0.61) NR1H4HSD17B13
SCHEMBL24599006 0.97 NR1H4 (0.61) NR1H4HSD17B13
SCHEMBL24599003 0.89 NR1H4 (0.64) NR1H4HSD17B13
SCHEMBL29692072 0.89 NR1H4 (0.64) NR1H4HSD17B13
SCHEMBL22570943 0.89 NR1H4 (0.59) NR1H4HSD17B13
SCHEMBL22570888 0.89 NR1H4 (0.59) NR1H4
SCHEMBL29692052 0.89 NR1H4 (0.61) NR1H4HSD17B13
SCHEMBL22570928 0.89 NR1H4 (0.61) NR1H4HSD17B13
SCHEMBL22570924 0.88 NR1H4 (0.58) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271377-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Terns Pharmaceuticals, Inc. (US) 2023-11-08 — — EP disclosed
CN-116887827-A Compounds and methods for modulating FXR 拓臻制药公司 2023-10-13 — — CN disclosed
WO-2022147448-A1 COMPOUNDS AND METHODS FOR MODULATING FXR TERNS PHARMACEUTICALS, INC. (US) 2022-07-07 — — WO disclosed
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