SCHEMBL11289216

SCHEMBL11289216

CC(C)N1C(=O)COC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
DRD1 P21728 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
KMT2A Q03164 1/20 0.53
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
DRD2 P14416 3/20 0.52
TSHR P16473 1/20 0.50

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
SCHEMBL11287234 0.88 MEN1 (0.57) MEN1CHRM2HTR1AADRA2ADRD1
SCHEMBL11292339 0.86 MEN1 (0.54) MEN1CHRM2HTR1AADRA2ADRD1
SCHEMBL11282081 0.81 DRD2 (0.53) MEN1CHRM2HTR1AADRA2ADRD1
SCHEMBL11290310 0.80 DRD3 (0.56) MEN1CHRM2HTR1AADRA2ADRD1
SCHEMBL11282805 0.79 DRD2 (0.52) MEN1CHRM2HTR1AADRA2ADRD1
SCHEMBL11285391 0.78 DRD2 (0.50) MEN1CHRM2HTR1AADRA2ADRD1
SCHEMBL11290027 0.77 DRD2 (0.58) MEN1CHRM2HTR1AADRA2ADRD1
SCHEMBL11285251 0.76 DRD2 (0.53) MEN1CHRM2HTR1AADRA2ADRD1
SCHEMBL11290212 0.76 DRD2 (0.52) DRD2TSHR
SCHEMBL11288157 0.75 HTR1A (0.53) MEN1CHRM2HTR1AADRA2ADRD1

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