SCHEMBL21574292

SCHEMBL21574292

CC(C)NC(=O)CN(CC1C=C(F)C=CC1)C(=O)c1nn(C)c2c1COc1ccc(Br)cc1-2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 18/20 0.51
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL18191640 0.82 NR1H4 (0.63) NR1H4POLBMAPT
SCHEMBL18191608 0.81 NR1H4 (0.62) NR1H4POLBMAPT
SCHEMBL18191664 0.80 NR1H4 (0.71) NR1H4
SCHEMBL18191615 0.80 NR1H4 (0.73) NR1H4
SCHEMBL21574228 0.79 NR1H4 (0.53) NR1H4POLBMAPT
SCHEMBL21574259 0.77 NR1H4 (0.67) NR1H4POLBMAPT
SCHEMBL21574260 0.74 NR1H4 (0.54) NR1H4MAPT
SCHEMBL18191644 0.73 NR1H4 (0.60) NR1H4POLBMAPT
SCHEMBL18191577 0.72 NR1H4 (0.57) NR1H4POLBMAPT
SCHEMBL18191647 0.72 NR1H4 (0.57) NR1H4POLBMAPT

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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