SCHEMBL31360978

SCHEMBL31360978

OB(O)Oc1ccc(C#CCCN2CCCCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.46
▸ HRH3 Q9Y5N1 13/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL25357192 0.81 HRH3 (0.47) MCHR1HRH3KMT2ADRD2DRD4
SCHEMBL25997020 0.77 HRH3 (0.50) HRH3KMT2ADRD2DRD4DRD3
SCHEMBL1864727 0.76 HRH3 (0.63) HRH3
SCHEMBL29550640 0.68 HRH3 (0.52) HRH3KMT2A
SCHEMBL27770704 0.67 AR (0.36) —
SCHEMBL28973750 0.67 ACACB (0.31) —
SCHEMBL4083598 0.67 HRH3 (0.82) HRH3
SCHEMBL2327696 0.64 MCHR1 (0.83) MCHR1CYP2D6CHRM1HTR2A
SCHEMBL25997024 0.64 HRH3 (0.45) HRH3CHRM1HTR2ADRD2DRD4
SCHEMBL26192208 0.64 HRH3 (0.41) HRH3KMT2A

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
CN-119954828-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-05-09 — — CN disclosed
CN-116322699-B Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-02-11 — — CN disclosed
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