SCHEMBL9220720

SCHEMBL9220720

COCC1(N)C=CC(c2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.35
MAOA P21397 15/20 0.35
MAOB P27338 15/20 0.35
ADORA3 P0DMS8 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL4331945 0.82 ADORA3 (0.32) KDM1AMAOAMAOBADORA3HTR2A
SCHEMBL20456224 0.80 KDM1A (0.46) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL8077336 0.77 KDM1A (0.38) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL21043746 0.76 MAPT (0.40) KDM1AADORA3CACNA1FCACNA1DCACNA1S
Propane SCHEMBL23045273 0.74 KDM1A (0.43) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL1074533 0.73 KDM1A (0.40) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL5185255 0.72 POLB (0.34) KDM1AMAOAMAOB
Methane SCHEMBL16507862 0.71 KDM1A (0.39) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL10715859 0.70 HTR2A (0.33) HTR2AHTR2CHTR2B
Ether SCHEMBL14674326 0.70 KDM1A (0.37) KDM1AMAOAMAOBADORA3

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-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed