SCHEMBL6959528

SCHEMBL6959528

COC(=O)Oc1ccc2c(CCCCN3CCCC(Cc4ccc(F)cc4)C3)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.46
CYP2D6 P10635 4/20 0.46
HTR2A P28223 3/20 0.45
HTR1A P08908 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
SCHEMBL6954023 0.94 HTR1A (0.49) CCR3CYP2D6HTR2AHTR1A
SCHEMBL6951247 0.93 BCHE (0.42) CCR3HTR2A
SCHEMBL27539065 0.93 CCR3 (0.47) CCR3CYP2D6HTR2AHTR1A
SCHEMBL6955648 0.92 HTR2A (0.48) CCR3HTR2AHTR1A
SCHEMBL7075871 0.90 HTR1A (0.43) CCR3HTR2AHTR1A
SCHEMBL7878911 0.88 CCR3 (0.49) CCR3CYP2D6HTR2AHTR1A
SCHEMBL6959392 0.88 ADRA2A (0.54) HTR2AHTR1A
SCHEMBL6949399 0.87 ADRA2A (0.47) HTR1A
SCHEMBL6959865 0.87 BCHE (0.49) HTR1A
SCHEMBL6958383 0.86 HTR1A (0.52) CCR3HTR2AHTR1A

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