SCHEMBL21574213

SCHEMBL21574213

Cn1nc(Cc2cc(F)cc(F)c2)c2c1-c1cc(Cl)ccc1OC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 10/20 0.47
▸ MAPT P10636 7/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.36
▸ OPRL1 P41146 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 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
SCHEMBL19910420 0.94 NR1H4 (0.44) NR1H4MAPTRXFP1OPRL1TP53
SCHEMBL19910381 0.87 NR1H4 (0.57) NR1H4MAPTRXFP1MAOB
SCHEMBL19910470 0.77 NR1H4 (0.43) NR1H4MAPT
SCHEMBL18198055 0.75 NR1H4 (0.67) NR1H4MAPT
SCHEMBL16702461 0.73 NR1H4 (0.85) NR1H4MAPTTP53
SCHEMBL21574277 0.72 NR1H4 (0.51) NR1H4MAPTRXFP1MAOB
SCHEMBL19910427 0.72 NR1H4 (0.47) NR1H4MAPTRXFP1TP53
SCHEMBL2546275 0.71 NR1H4 (0.65) NR1H4MAPTRXFP1TP53
SCHEMBL18191644 0.71 NR1H4 (0.60) NR1H4MAPTTP53
SCHEMBL19910368 0.71 NR1H4 (0.45) NR1H4MAPTTP53

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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