SCHEMBL21574299

SCHEMBL21574299

CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c2c1COc1ccc(C)cc1-2

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 19/20 0.84
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL18191650 0.91 NR1H4 (1.00) NR1H4MAPT
SCHEMBL18191604 0.91 NR1H4 (1.00) NR1H4MAPT
SCHEMBL18191646 0.91 NR1H4 (1.00) NR1H4MAPT
SCHEMBL18191601 0.91 NR1H4 (1.00) NR1H4MAPT
SCHEMBL18191583 0.89 NR1H4 (1.00) NR1H4MAPT
SCHEMBL18191586 0.89 NR1H4 (1.00) NR1H4MAPT
SCHEMBL18191623 0.88 NR1H4 (1.00) NR1H4MAPT
SCHEMBL21574274 0.86 NR1H4 (0.65) NR1H4LMNATP53MAPT
SCHEMBL28897395 0.83 NR1H4 (0.86) NR1H4MAPT
SCHEMBL18191597 0.83 NR1H4 (1.00) NR1H4TP53

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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