SCHEMBL22787207

SCHEMBL22787207

O=CCCCOc1cnc2c(c1)CCCC2=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.39
MAOA P21397 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL14234534 0.83 MAOB (0.43) MAOBMAOASMN1; SMN2
SCHEMBL22773712 0.80 MAOA (0.41) MAOBMAOA
SCHEMBL4761258 0.75 EGFR (0.38) MAOBMAOA
SCHEMBL2138462 0.75 MAOB (0.41) MAOBMAOA
SCHEMBL22787134 0.73 HRH3 (0.34) HRH3
SCHEMBL22787209 0.73 PPARD (0.32)
SCHEMBL14212069 0.69 MAOA (0.39) MAOBMAOASMN1; SMN2
SCHEMBL10314897 0.69 HPD (0.53) MAOBMAOA
SCHEMBL883070 0.66 KMT2A (0.39) MAOBMAOASMN1; SMN2HRH3
SCHEMBL10271350 0.66 MAOA (0.49) MAOBMAOA

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
WO-2020248065-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-17 WO disclosed