SCHEMBL21574198

SCHEMBL21574198

Cn1nc(C(=O)N(CCN)CC2CC=CC=C2F)c2c1-c1cc(Cl)ccc1OC2

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 16/20 0.58
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ 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
SCHEMBL21574214 0.91 NR1H4 (0.55) NR1H4POLBMAPT
SCHEMBL19910377 0.84 NR1H4 (0.52) NR1H4
SCHEMBL18191629 0.81 NR1H4 (0.67) NR1H4POLBMAPT
SCHEMBL21574219 0.77 NR1H4 (0.55) NR1H4POLBMAPTTP53
SCHEMBL21574260 0.76 NR1H4 (0.54) NR1H4MAPT
SCHEMBL16709825 0.75 NR1H4 (0.79) NR1H4POLBMAPT
SCHEMBL16702203 0.75 NR1H4 (0.67) NR1H4POLBMAPT
SCHEMBL18198085 0.74 NR1H4 (0.62) NR1H4POLBMAPTTP53
SCHEMBL21574217 0.73 NR1H4 (0.63) NR1H4POLBMAPTTP53
SCHEMBL16702933 0.73 NR1H4 (0.65) NR1H4POLBMAPTTP53

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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