SCHEMBL21574235

SCHEMBL21574235

CC(C)[S+]([O-])NCCN(CC1=CC=CCC1)C(=O)c1nn(C)c2c1COc1ccc(Br)cc1-2

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 19/20 0.59

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
SCHEMBL21574270 0.76 NR1H4 (0.64) NR1H4
SCHEMBL18191666 0.76 NR1H4 (0.84) NR1H4
SCHEMBL18191639 0.75 NR1H4 (0.78) NR1H4
SCHEMBL18191604 0.74 NR1H4 (1.00) NR1H4
SCHEMBL18191597 0.73 NR1H4 (1.00) NR1H4
SCHEMBL21574255 0.73 NR1H4 (0.58) NR1H4
SCHEMBL18198096 0.72 NR1H4 (0.86) NR1H4
SCHEMBL18198250 0.72 NR1H4 (0.79) NR1H4
SCHEMBL18191620 0.71 NR1H4 (0.85) NR1H4
SCHEMBL28897394 0.71 NR1H4 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288948-B1 FUSED TRICYCLIC PYRAZOLE DERIVATIVES USEFUL FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2019-11-20 — — EP disclosed
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