SCHEMBL7075871

SCHEMBL7075871

COC(=O)Oc1ccc2c(CCCCN3CCCC(Cc4ccc(C#N)cc4)C3)c[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HTR2A P28223 2/20 0.42
CCR3 P51677 2/20 0.42
HAT1 O14929 2/20 0.42
EP300 Q09472 2/20 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
SCHEMBL7082018 0.94 HTR1A (0.48) HTR1A
SCHEMBL6951247 0.91 BCHE (0.42) HTR2ACCR3
SCHEMBL6959528 0.90 CCR3 (0.46) HTR1AHTR2ACCR3
SCHEMBL6955648 0.90 HTR2A (0.48) HTR1AHTR2ACCR3
SCHEMBL7880296 0.89 HTR1A (0.48) HTR1A
SCHEMBL7384064 0.86 HTR1A (0.48) HTR1A
SCHEMBL6959392 0.86 ADRA2A (0.54) HTR1AHTR2A
SCHEMBL6949399 0.85 ADRA2A (0.47) HTR1A
SCHEMBL6959865 0.85 BCHE (0.49) HTR1A
SCHEMBL6954023 0.84 HTR1A (0.49) HTR1AHTR2ACCR3

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
EP-0993458-B1 3-BENZYLPIPERIDINE MERCK PATENT GMBH (DE) 2003-04-09 EP disclosed