SCHEMBL31069342

SCHEMBL31069342

CC(C)CCn1c(Cn2c(=O)n(C)c3ccc(F)cc32)nc2cc(CN)ccc21

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41

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
SCHEMBL31069363 0.92 AGTR1 (0.36)
SCHEMBL31069319 0.89 AGTR1 (0.42)
SCHEMBL31069315 0.89 AGTR1 (0.37)
SCHEMBL31069344 0.88 CNR2 (0.39) CNR2
SCHEMBL31069331 0.87 CYP3A4 (0.41) CNR2
SCHEMBL31069307 0.87 AGTR1 (0.39)
SCHEMBL31069382 0.86
SCHEMBL31069352 0.86 CNR2 (0.41) CNR2
SCHEMBL31069290 0.85
SCHEMBL31069348 0.84 TBXA2R (0.37)

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-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO claimed
WO-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO disclosed