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SCHEMBL4742660

SCHEMBL4742660

CC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccc(F)cc4F)coc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.46
▸ AVPR1B P47901 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL4742548 0.90 HRH3 (0.53) HRH3AVPR1BBCHE
SCHEMBL4745160 0.87 HRH3 (0.50) HRH3AVPR1BBCHE
SCHEMBL4746415 0.86 AVPR1B (0.53) HRH3AVPR1BHTR1ADRD2HTR2A
SCHEMBL4744940 0.86 HRH3 (0.46) HRH3AVPR1BBCHE
SCHEMBL4744416 0.85 HRH3 (0.53) HRH3BCHE
SCHEMBL4746425 0.85 HRH3 (0.63) HRH3BCHE
SCHEMBL4741990 0.84 HRH3 (0.46) HRH3AVPR1BBCHE
SCHEMBL4742617 0.84 HRH3 (0.53) HRH3AVPR1BBCHE
SCHEMBL4746377 0.84 HRH3 (0.53) HRH3BCHEHRH1KCNH2
SCHEMBL4745561 0.84 HRH3 (0.53) HRH3AVPR1BBCHE

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-2008107321-A1 HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 — — WO disclosed