SCHEMBL6580339

SCHEMBL6580339

Clc1ccc(I)cc1N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.59
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HTR3A P46098 6/20 0.44
HTR1A P08908 5/20 0.44
HTR3E A5X5Y0 3/20 0.44
HTR3B O95264 3/20 0.44
HTR3D Q70Z44 3/20 0.44
HTR3C Q8WXA8 3/20 0.44
LTA4H P09960 1/20 0.44
ADRA1B P35368 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
HTR2B P41595 2/20 0.42
HTR6 P50406 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
SCHEMBL24522235 0.83 ALDH1A1 (0.52) ADRB1HTR1AADRA1BTP53THRB
SCHEMBL4328782 0.81 ADRB1 (0.63) ADRB1DRD2DRD3HTR3AHTR1A
SCHEMBL30511075 0.81 ADRB1 (0.63) ADRB1DRD2DRD3HTR3AHTR1A
Hydrochloric Acid SCHEMBL3649806 0.80 ADRB1 (0.61) ADRB1DRD2DRD3HTR3AHTR1A
Hydrochloric Acid SCHEMBL6965349 0.80 ADRB1 (0.61) ADRB1DRD2DRD3HTR3AHTR1A
Hydrochloric Acid SCHEMBL29832037 0.80 ADRB1 (0.61) ADRB1DRD2DRD3HTR3AHTR1A
SCHEMBL6195922 0.79 ADRB1 (0.59) ADRB1DRD2DRD3HTR3AHTR1A
SCHEMBL6580002 0.79 ADRB1 (0.59) ADRB1DRD2DRD3HTR3AHTR1A
SCHEMBL23339696 0.79 ALDH1A1 (0.45) ADRB1DRD2DRD3HTR3AHTR1A
SCHEMBL7537170 0.79 ADRB1 (0.58) ADRB1HTR3AHTR1AHTR3EHTR3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200406-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP disclosed
EP-1200406-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-05-02 EP disclosed
WO-2001005765-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-01-25 WO disclosed