SCHEMBL7674578

SCHEMBL7674578

c1ccc2c(c1)CCc1ccccc1C21CCNCC1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.79
HTR2C P28335 2/20 0.61
DRD2 P14416 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
OPRM1 P35372 2/20 0.52
HRH1 P35367 2/20 0.47
BACE1 P56817 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
KDM1A O60341 3/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL7884175 0.87 HTR2A (0.67) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL666915 0.80 HTR2A (0.55) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL1223340 0.78 OPRM1 (0.56) HTR2AHTR2CDRD2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30593071 0.78 HTR2A (0.53) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL31741763 0.78 HTR2A (0.53) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL44425 0.78 HTR2A (0.55) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL30676406 0.78 HTR2A (0.55) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL4330959 0.77 HTR2A (0.64) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL30573672 0.77 HTR2A (0.64) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL9196136 0.77 HTR2A (0.81) HTR2AHTR2CDRD2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed