SCHEMBL21574228

SCHEMBL21574228

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 16/20 0.53
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL18191644 0.82 NR1H4 (0.60) NR1H4MAPTPOLBTP53
SCHEMBL18191577 0.81 NR1H4 (0.57) NR1H4MAPTPOLB
SCHEMBL18191647 0.81 NR1H4 (0.57) NR1H4MAPTPOLB
SCHEMBL18191628 0.81 NR1H4 (0.60) NR1H4MAPTPOLB
SCHEMBL18191662 0.80 NR1H4 (0.67) NR1H4MAPTPOLB
SCHEMBL18191626 0.80 NR1H4 (0.55) NR1H4MAPTPOLB
SCHEMBL21574292 0.79 NR1H4 (0.51) NR1H4MAPTPOLB
SCHEMBL18191641 0.75 NR1H4 (0.73) NR1H4MAPTPOLB
SCHEMBL18191607 0.74 NR1H4 (0.74) NR1H4MAPTPOLB
SCHEMBL16702101 0.74 NR1H4 (0.67) NR1H4MAPTPOLBTP53

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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