SCHEMBL7599519

SCHEMBL7599519

CCCc1ccccc1N1CCN(CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.53
DRD4 P21917 5/20 0.53
ADRA1A P35348 3/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1B P35368 2/20 0.49
DRD3 P35462 3/20 0.48
OPRM1 P35372 1/20 0.48
HTR1A P08908 2/20 0.47
HTR2A P28223 4/20 0.46
ADRA2A P08913 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
HTR2C P28335 3/20 0.46
SLC6A4 P31645 3/20 0.46
HTR7 P34969 1/20 0.46
SLC6A2 P23975 1/20 0.46

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 0.85 ADRA1A (0.61) DRD2DRD4ADRA1AADRA1DADRA1B
SCHEMBL7601484 0.84 DRD2 (0.70) DRD2DRD4ADRA1ADRD3OPRM1
SCHEMBL7597593 0.82 DRD2 (0.59) DRD2DRD4ADRA1ADRD3HTR1A
SCHEMBL7599573 0.82 HTR2A (0.63) DRD2ADRA1ADRD3HTR1AHTR2A
SCHEMBL7600435 0.82 DRD2 (0.74) DRD2DRD4DRD3SLC6A4SLC6A2
SCHEMBL7596111 0.81 ADRA1D (0.56) DRD2DRD4ADRA1AADRA1DADRA1B
SCHEMBL7601949 0.80 ADRA1D (0.62) DRD2DRD4ADRA1AADRA1DADRA1B
SCHEMBL7599561 0.80 ADRA1D (0.55) DRD2DRD4ADRA1AADRA1DADRA1B
SCHEMBL7601660 0.79 ADRA1D (0.56) DRD2DRD4ADRA1AADRA1DADRA1B
SCHEMBL7601974 0.79 DRD2 (0.61) DRD2DRD4ADRA1AADRA1DADRA1B

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