SCHEMBL18993367

SCHEMBL18993367

C=C(O)c1ccc(F)c(NCCN(Cc2cccc(F)c2)C(=O)c2nn(C)c3c2COc2ccc(F)cc2-3)c1

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 19/20 0.91
▸ 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
SCHEMBL16701893 0.95 NR1H4 (1.00) NR1H4POLBMAPT
SCHEMBL16702100 0.92 NR1H4 (0.88) NR1H4MAPT
SCHEMBL16702323 0.91 NR1H4 (0.92) NR1H4POLBMAPT
SCHEMBL16702108 0.91 NR1H4 (0.91) NR1H4
SCHEMBL16702370 0.91 NR1H4 (0.91) NR1H4POLBMAPT
SCHEMBL16702770 0.90 NR1H4 (0.89) NR1H4POLBMAPT
SCHEMBL18993365 0.89 NR1H4 (0.82) NR1H4POLBMAPT
SCHEMBL16702189 0.87 NR1H4 (0.81) NR1H4MAPT
SCHEMBL16702145 0.85 NR1H4 (0.82) NR1H4POLBMAPT
SCHEMBL16701975 0.85 NR1H4 (1.00) 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
US-9682939-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2017-06-20 — — US disclosed
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