SCHEMBL7082018

SCHEMBL7082018

COC(=O)Oc1ccc2[nH]cc(CCCCN3CCCC(Cc4ccc(C#N)cc4)C3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.48

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
SCHEMBL7075871 0.94 HTR1A (0.43) HTR1A
SCHEMBL7384064 0.92 HTR1A (0.48) HTR1A
SCHEMBL6959392 0.92 ADRA2A (0.54) HTR1A
SCHEMBL6949399 0.91 ADRA2A (0.47) HTR1A
SCHEMBL6959865 0.91 BCHE (0.49) HTR1A
SCHEMBL6954023 0.90 HTR1A (0.49) HTR1A
SCHEMBL6958383 0.90 HTR1A (0.52) HTR1A
SCHEMBL7881273 0.89 HTR1A (0.53) HTR1A
SCHEMBL6951247 0.85 BCHE (0.42)
SCHEMBL7350360 0.85 ADRA2A (0.54) HTR1A

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