SCHEMBL7599573

SCHEMBL7599573

Cc1cccc(N2CCN(CCCNC(=O)C(O)(c3ccccc3)c3ccccc3)CC2)c1C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.63
HTR2C P28335 17/20 0.63
SLC6A4 P31645 16/20 0.63
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
ADRA1A P35348 1/20 0.58
KCNH2 Q12809 1/20 0.56
HTR1A P08908 1/20 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
SCHEMBL7602613 0.92 ADRA1A (0.61) HTR2AHTR2CSLC6A4DRD2DRD3
SCHEMBL7599561 0.89 ADRA1D (0.55) HTR2AHTR2CSLC6A4DRD2DRD3
SCHEMBL7601484 0.84 DRD2 (0.70) HTR2ASLC6A4DRD2DRD3ADRA1A
SCHEMBL7601660 0.84 ADRA1D (0.56) DRD2DRD3ADRA1A
SCHEMBL7601974 0.84 DRD2 (0.61) DRD2DRD3ADRA1A
SCHEMBL7600435 0.83 DRD2 (0.74) SLC6A4DRD2DRD3
SCHEMBL7601949 0.83 ADRA1D (0.62) SLC6A4DRD2DRD3ADRA1A
SCHEMBL7601947 0.82 KCNH2 (0.59) HTR2AHTR2CSLC6A4DRD2DRD3
SCHEMBL7599519 0.82 DRD2 (0.53) HTR2AHTR2CSLC6A4DRD2DRD3
SCHEMBL7596111 0.82 ADRA1D (0.56) DRD2DRD3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891344-B1 ALPHA-1 ADRENERGIC RECEPTOR ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2002-12-18 EP disclosed
US-6300499-B1 α1-adrenergic receptor antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-09 US disclosed
EP-0891344-A1 ALPHA 1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-01-20 EP disclosed
WO-1997037983-A1 α1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1997-10-16 WO disclosed