SCHEMBL8370599

SCHEMBL8370599

COCCCc1ccccc1N1CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.62
ADRA1A P35348 4/20 0.62
ADRA1B P35368 4/20 0.62
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 1/20 0.53
SLC6A4 P31645 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL7598216 0.84 DRD2 (0.67) ADRA1DADRA1AADRA1BSLC6A2SLC6A4
SCHEMBL7596308 0.80 ADRA1D (0.63) ADRA1DADRA1AADRA1BSLC6A2SLC6A3
SCHEMBL7601726 0.78 ADRA1D (0.67) ADRA1DADRA1AADRA1BSLC6A2SLC6A3
SCHEMBL7602249 0.77 ADRA1D (0.77) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL6433355 0.76 CNR1 (0.61)
SCHEMBL7603599 0.75 ADRA1D (0.63) ADRA1DADRA1AADRA1BSLC6A2SLC6A3
SCHEMBL7596185 0.75 DRD2 (0.66) ADRA1ASLC6A2SLC6A4DRD2DRD4
SCHEMBL8975590 0.75 RAB9A (0.80) ADRA1DADRA1AADRA1BSLC6A2SLC6A3
SCHEMBL6434428 0.74 CNR1 (0.60)
SCHEMBL8370598 0.72 OPRM1 (0.44) ADRA1ADRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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