SCHEMBL6580002

SCHEMBL6580002

Cc1ccc(Cl)c(N2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.59
HTR1A P08908 12/20 0.57
HTR3A P46098 12/20 0.57
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
ADRB2 P07550 1/20 0.49
PTGS1 P23219 1/20 0.49
HRH2 P25021 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 1/20 0.49
PTGS2 P35354 1/20 0.49
HRH1 P35367 1/20 0.49
HTR5A P47898 1/20 0.49

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
SCHEMBL233944 0.87 HTR3A (0.61) ADRB1HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL12176443 0.83 HTR1A (0.49) HTR1AHTR3A
SCHEMBL4328782 0.81 ADRB1 (0.63) ADRB1HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL255418 0.81 HTR1A (0.62) ADRB1HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL29805912 0.81 HTR1A (0.62) ADRB1HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL16727175 0.81 ALDH1A1 (0.50) HTR1A
SCHEMBL30511075 0.81 ADRB1 (0.63) ADRB1HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL13419460 0.81 HTR3A (0.56) ADRB1HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL15597488 0.80 MAPT (0.53) HTR1AHTR3ADRD2DRD3ADRB2
Hydrochloric Acid SCHEMBL2959720 0.80 HTR1A (0.65) ADRB1HTR1AHTR3ACYP1A2CYP3A4

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