SCHEMBL18993364

SCHEMBL18993364

Cc1ccccc1CN(CC(=O)Nc1cc(C(=O)O)ccc1F)C(=O)c1nn(C)c2c1COc1ccc(F)cc1-2

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 16/20 0.81
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 2/20 0.39

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
SCHEMBL16702681 0.95 NR1H4 (0.82) NR1H4TP53MAPTPOLB
SCHEMBL18241672 0.94 NR1H4 (0.81) NR1H4TP53MAPTPOLB
SCHEMBL16702262 0.92 NR1H4 (0.92) NR1H4TP53MAPTPOLB
SCHEMBL16701975 0.90 NR1H4 (1.00) NR1H4TP53MAPTPOLB
SCHEMBL16701915 0.89 NR1H4 (0.91) NR1H4TP53MAPTPOLB
SCHEMBL18191612 0.89 NR1H4 (0.73) NR1H4TP53MAPTPOLB
SCHEMBL18191591 0.89 NR1H4 (0.73) NR1H4TP53MAPTPOLB
SCHEMBL16702446 0.89 NR1H4 (0.73) NR1H4TP53MAPTPOLB
SCHEMBL16702903 0.89 NR1H4 (0.72) NR1H4TP53MAPTPOLB
SCHEMBL18241670 0.88 NR1H4 (0.72) NR1H4TP53MAPTPOLB

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
US-9682939-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2017-06-20 — — US disclosed
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