SCHEMBL31473501

SCHEMBL31473501

CCCCCCOc1cccc(CC(=O)N(C2CC2)C2CC(N)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 2/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ CYP2D6 P10635 3/20 0.48
▸ KCNH2 Q12809 1/20 0.46
▸ GGPS1 O95749 2/20 0.46
▸ TSHR P16473 1/20 0.43
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ SMPD1 P17405 3/20 0.43

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
SCHEMBL31473499 0.88 PLA2G4B (0.52) PLA2G4BCNR1CNR2CYP2D6KCNH2
SCHEMBL31473498 0.88 PLA2G4B (0.48) PLA2G4BCYP2D6TSHR
SCHEMBL31473530 0.85 PLA2G4B (0.47) PLA2G4BCYP2D6TSHR
SCHEMBL31473506 0.76 PLA2G4B (0.49) PLA2G4BCYP2D6TSHR
SCHEMBL9162271 0.76 PLA2G4B (0.65) PLA2G4BCNR1CNR2CYP2D6GGPS1
SCHEMBL9402584 0.74 PLA2G4B (0.64) PLA2G4BCYP2D6KCNH2GGPS1PPARG
SCHEMBL9402559 0.74 PLA2G4B (0.83) PLA2G4BGGPS1PPARGPPARASMPD1
SCHEMBL9717034 0.74 PLA2G4B (0.83) PLA2G4BGGPS1PPARGPPARASMPD1
SCHEMBL9164631 0.74 PLA2G4B (0.83) PLA2G4BGGPS1PPARGPPARASMPD1
SCHEMBL31473502 0.74 PLA2G4B (0.83) PLA2G4BGGPS1PPARGPPARASMPD1

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-2025061176-A1 CYCLOALKANE-SUBSTITUTED AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海科技大学 2025-03-27 — — WO disclosed
CN-119661404-A Cycloalkane substituted amine derivative, preparation method and application thereof 上海科技大学 2025-03-21 — — CN disclosed
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