SCHEMBL29494397

SCHEMBL29494397

Cc1ccc(NC(=O)CN2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL29494262 0.97 CYP2C19 (0.49) CYP2C19
Trifluoroacetic Acid SCHEMBL29494443 0.94 CYP2C19 (0.47) CYP2C19
SCHEMBL29494235 0.93 — —
SCHEMBL29494410 0.90 — —
SCHEMBL29494384 0.88 DRD4 (0.56) —
Trifluoroacetic Acid SCHEMBL29494362 0.87 — —
Trifluoroacetic Acid SCHEMBL29494370 0.87 — —
SCHEMBL29494271 0.86 — —
Trifluoroacetic Acid SCHEMBL29494445 0.85 — —
SCHEMBL29494206 0.83 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022070048-A1 NOVEL AMIDE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2022-04-07 — — WO claimed
WO-2022070048-A1 NOVEL AMIDE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2022-04-07 — — WO disclosed
Send feedback