SCHEMBL11666263

SCHEMBL11666263

CN(CCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.72
AOC3 Q16853 1/20 0.58
KCNH2 Q12809 2/20 0.54
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PPARG P37231 1/20 0.51
TAAR1 Q96RJ0 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
SCHEMBL7922310 1.00 SIGMAR1 (0.72) SIGMAR1AOC3KCNH2CHRM2HTR1A
SCHEMBL6909380 1.00 SIGMAR1 (0.72) SIGMAR1AOC3KCNH2CHRM2HTR1A
SCHEMBL2600458 0.94 AOC3 (0.64) SIGMAR1AOC3KCNH2CHRM2HTR1A
SCHEMBL17037834 0.88 SIGMAR1 (0.52) SIGMAR1AOC3PPARGTAAR1
SCHEMBL13645984 0.85 SIGMAR1 (0.48) SIGMAR1AOC3PPARGTAAR1
SCHEMBL11503145 0.84 SIGMAR1 (0.57) SIGMAR1AOC3KCNH2CHRM2HTR1A
SCHEMBL8096630 0.84 SIGMAR1 (1.00) SIGMAR1AOC3KCNH2SLC6A2SLC6A4
SCHEMBL6542721 0.84 TAAR1 (0.64) SIGMAR1AOC3KCNH2CHRM2HTR1A
SCHEMBL2117266 0.82 SIGMAR1 (1.00) SIGMAR1AOC3KCNH2TAAR1
SCHEMBL5721858 0.82 SIGMAR1 (1.00) SIGMAR1AOC3KCNH2TAAR1

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-4101541-A DYES FOR POLYESTERS OR POLYPROPYLENE CIBA-GEIGY CORPORATION (US) 1978-07-18 US disclosed