SCHEMBL28656748

SCHEMBL28656748

CC(=O)C(C)N1C2CCC1CC(Oc1ccnc3ccc(F)cc13)C2

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.62
CYP3A4 P08684 1/20 0.51

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
SCHEMBL28646081 0.85 IDO1 (0.57) IDO1CYP3A4
SCHEMBL23549592 0.78 IDO1 (0.70) IDO1CYP3A4
SCHEMBL21646962 0.78 IDO1 (0.70) IDO1CYP3A4
SCHEMBL23549594 0.78 IDO1 (0.70) IDO1CYP3A4
SCHEMBL23549590 0.78 IDO1 (0.70) IDO1CYP3A4
SCHEMBL17729211 0.78 IDO1 (0.64) IDO1
SCHEMBL23549492 0.76 IDO1 (1.00) IDO1
SCHEMBL21647029 0.76 IDO1 (1.00) IDO1
SCHEMBL23549494 0.76 IDO1 (1.00) IDO1
SCHEMBL23549490 0.76 IDO1 (1.00) IDO1

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
CN-109575022-B Compound and application thereof 成都海博锐药业有限公司 2021-09-21 CN disclosed