SCHEMBL21574260

SCHEMBL21574260

Cn1nc(C(=O)N(CCN)CC2C=CC=CC2)c2c1-c1cc(Br)ccc1OC2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 18/20 0.54
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 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
SCHEMBL18198250 0.80 NR1H4 (0.79) NR1H4THRB
SCHEMBL21574255 0.79 NR1H4 (0.58) NR1H4MAPT
SCHEMBL18191599 0.77 NR1H4 (0.81) NR1H4
SCHEMBL21574198 0.76 NR1H4 (0.58) NR1H4MAPT
SCHEMBL21574292 0.74 NR1H4 (0.51) NR1H4MAPT
SCHEMBL28897394 0.73 NR1H4 (0.77) NR1H4THRB
SCHEMBL21165376 0.72 NR1H4 (0.58) NR1H4MAPT
SCHEMBL18198083 0.72 NR1H4 (0.76) NR1H4MAPT
SCHEMBL18198059 0.70 NR1H4 (0.65) NR1H4MAPT
SCHEMBL18198057 0.70 NR1H4 (0.66) NR1H4MAPT

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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