SCHEMBL254983

SCHEMBL254983

CN1c2ccccc2C2CCNCCC21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.42
SRD5A1 P18405 3/20 0.41
HRH1 P35367 2/20 0.38
HTR6 P50406 1/20 0.38
KDM1A O60341 1/20 0.37
HTR2A P28223 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ADRB1 P08588 1/20 0.35
GPR3 P46089 1/20 0.35

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
SCHEMBL15999467 0.89 HTR2C (0.42) HTR2CSRD5A1HRH1HTR6HTR2A
SCHEMBL7140355 0.89 HTR2C (0.42) HTR2CSRD5A1HRH1HTR6HTR2A
SCHEMBL12951637 0.89 HTR2C (0.38) HTR2CSRD5A1HRH1HTR6HTR2A
SCHEMBL21913053 0.82 HRH1 (0.48) SRD5A1HRH1HTR6GPR3
SCHEMBL11350931 0.82 HRH1 (0.48) SRD5A1HRH1HTR6GPR3
SCHEMBL12938774 0.82 SRD5A1 (0.45) SRD5A1HRH1HTR6GPR3
SCHEMBL11349641 0.82 HRH1 (0.48) SRD5A1HRH1HTR6GPR3
SCHEMBL20385076 0.81 HRH1 (0.47) SRD5A1HRH1HTR6GPR3
SCHEMBL25557913 0.81 HRH1 (0.47) SRD5A1HRH1HTR6GPR3
SCHEMBL12938772 0.81 HRH1 (0.47) SRD5A1HRH1HTR6GPR3

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
WO-2012030953-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed