SCHEMBL22354071

SCHEMBL22354071

COc1cc(-c2cccc(N(CCCCCc3nnc(C)o3)C(=O)C3CCC3)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 18/20 0.52
CNR1 P21554 1/20 0.35

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
SCHEMBL24258947 0.86 NR1H4 (0.48) NR1H4
SCHEMBL22352721 0.84 NR1H4 (0.56) NR1H4
SCHEMBL22352620 0.82 NR1H4 (0.64) NR1H4
SCHEMBL24259284 0.82 NR1H4 (0.64) NR1H4
SCHEMBL24259043 0.82 NR1H4 (0.38) NR1H4CNR1
SCHEMBL24452466 0.82 NR1H4 (0.66) NR1H4
SCHEMBL24259134 0.81 NR1H4 (0.50) NR1H4
SCHEMBL22352734 0.81 NR1H4 (0.55) NR1H4
SCHEMBL24452388 0.81 NR1H4 (0.55) NR1H4
SCHEMBL24452396 0.80 NR1H4 (0.52) NR1H4

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
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed