SCHEMBL11285391

SCHEMBL11285391

CCCCN1C(=O)COC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1CC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
DRD3 P35462 2/20 0.49
MEN1 O00255 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD1 P21728 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TSHR P16473 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
SCHEMBL11282081 0.89 DRD2 (0.53) DRD2DRD3MEN1CHRM2HTR1A
SCHEMBL11292339 0.84 MEN1 (0.54) DRD2DRD3MEN1CHRM2HTR1A
SCHEMBL11287234 0.81 MEN1 (0.57) DRD2DRD3MEN1CHRM2HTR1A
SCHEMBL11285251 0.80 DRD2 (0.53) DRD2DRD3MEN1CHRM2HTR1A
SCHEMBL11281315 0.80 DRD2 (0.50) DRD2DRD3MEN1CHRM2HTR1A
SCHEMBL11290310 0.78 DRD3 (0.56) DRD2DRD3MEN1CHRM2HTR1A
SCHEMBL11289216 0.78 MEN1 (0.53) DRD2DRD3MEN1CHRM2HTR1A
SCHEMBL11282805 0.76 DRD2 (0.52) DRD2DRD3MEN1CHRM2HTR1A
SCHEMBL11281688 0.76 SIGMAR1 (0.53) CHRM2ADRA2ADRD1OPRM1KMT2A
SCHEMBL11290027 0.76 DRD2 (0.58) DRD2DRD3MEN1CHRM2HTR1A

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-4353900-A HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed