SCHEMBL9065631

SCHEMBL9065631

NC1CCN(CCCC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.66
DRD3 P35462 6/20 0.62
HTR1A P08908 5/20 0.62
HRH1 P35367 4/20 0.62
HTR2A P28223 3/20 0.62
HTR2C P28335 3/20 0.62
HTR7 P34969 3/20 0.62
HTR2B P41595 3/20 0.62
ADRA1A P35348 3/20 0.61
DRD4 P21917 4/20 0.58
DRD1 P21728 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CHRM2 P08172 2/20 0.56
ADRA2A P08913 2/20 0.56
OPRM1 P35372 2/20 0.56
KCNH2 Q12809 2/20 0.56
HRH3 Q9Y5N1 1/20 0.56
MCHR1 Q99705 3/20 0.56
DRD5 P21918 2/20 0.55

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
SCHEMBL11415059 0.86 MEN1 (0.76) DRD2DRD3HTR1AHTR2AADRA1A
SCHEMBL22778808 0.86 HTR1A (0.76) DRD2DRD3HTR1AHRH1HTR2A
SCHEMBL11621419 0.85 DRD2 (0.65) DRD2DRD3HTR1AHRH1HTR2A
Hydrochloric Acid SCHEMBL11635528 0.84 ADRA1D (0.66) DRD2DRD3HTR1AHRH1HTR2A
SCHEMBL11829762 0.84 DRD2 (0.70) DRD2DRD3HTR1AHRH1HTR2A
Hydrochloric Acid SCHEMBL11617320 0.84 DRD2 (0.63) DRD2DRD3HTR1AHRH1HTR2A
SCHEMBL11562987 0.82 DRD2 (0.68) DRD2DRD3HTR1AHRH1HTR2A
SCHEMBL21748552 0.82 KMT2A (0.51) DRD2KMT2AMEN1ALDH1A1MAPT
SCHEMBL3868713 0.80 DRD2 (0.76) DRD2DRD3DRD4MCHR1
SCHEMBL6053511 0.80 DRD2 (1.00) DRD2DRD3HTR1AHRH1HTR2A

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
US-5578611-A ANTITUMOR AGENTS AND PROSTATE TUMOR DETECTION BY BINDING HUMAN ALPHA-ADRENERGIC RECEPTOR AND HISTAMINE H1 RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-11-26 US disclosed