SCHEMBL21574270

SCHEMBL21574270

CC(C)[S+]([O-])NCCN(Cc1ccccc1F)C(=O)c1nn(C)c2c1COc1ccc(Cl)cc1-2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 17/20 0.64
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL18191614 0.89 NR1H4 (0.72) NR1H4POLBMAPT
SCHEMBL18191578 0.87 NR1H4 (0.69) NR1H4POLBMAPT
SCHEMBL18198075 0.87 NR1H4 (0.67) NR1H4MAPT
SCHEMBL16702203 0.86 NR1H4 (0.67) NR1H4POLBMAPT
SCHEMBL18191629 0.86 NR1H4 (0.67) NR1H4POLBMAPT
SCHEMBL18191628 0.83 NR1H4 (0.60) NR1H4POLBMAPT
SCHEMBL16702092 0.83 NR1H4 (0.64) NR1H4POLBMAPT
SCHEMBL16703004 0.83 NR1H4 (0.72) NR1H4POLBMAPT
SCHEMBL21574217 0.83 NR1H4 (0.63) NR1H4POLBMAPT
SCHEMBL16702933 0.83 NR1H4 (0.65) 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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