SCHEMBL8370464

SCHEMBL8370464

COCCCc1ccccc1N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.54
SLC6A2 P23975 5/20 0.54
SLC6A4 P31645 5/20 0.54
SLC6A3 Q01959 2/20 0.54
ADRB1 P08588 3/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR3A P46098 1/20 0.53
HTR6 P50406 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTR7 P34969 3/20 0.48
DRD4 P21917 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL7800659 0.83 HTR1A (0.55) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL6220020 0.82 HTR1A (0.54) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL612522 0.81 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL29432642 0.81 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL11035597 0.80 HTR1A (0.57) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL404338 0.80 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL29432674 0.80 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL335802 0.77 HTR1A (0.73) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL31561598 0.77 HTR1A (0.73) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL28078181 0.77 HTR1A (0.73) HTR1ASLC6A2SLC6A4SLC6A3ADRB1

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