SCHEMBL11623397

SCHEMBL11623397

CCCCCCNC(CN)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
ESR1 P03372 3/20 0.42
ADRA2A P08913 3/20 0.42
ADORA3 P0DMS8 3/20 0.42
TACR2 P21452 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
LMNA P02545 3/20 0.42
HIF1A Q16665 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
ADRB3 P13945 2/20 0.42
EGFR P00533 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
ADRA2C P18825 2/20 0.42
CHRM3 P20309 2/20 0.42

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
SCHEMBL21799802 0.84 HTR2A (0.50) SLC2A1ALDH1A1SIGMAR1TAAR1
SCHEMBL11626763 0.84 HTR2A (0.50) SLC2A1ALDH1A1SIGMAR1TAAR1
SCHEMBL21799659 0.84 HTR2A (0.50) SLC2A1ALDH1A1SIGMAR1TAAR1
SCHEMBL21799652 0.84 HTR2A (0.50) SLC2A1ALDH1A1SIGMAR1TAAR1
SCHEMBL21799549 0.84 HTR2A (0.50) SLC2A1ALDH1A1SIGMAR1TAAR1
SCHEMBL21799658 0.84 HTR2A (0.50) SLC2A1ALDH1A1SIGMAR1TAAR1
SCHEMBL21799711 0.84 HTR2A (0.50) SLC2A1ALDH1A1SIGMAR1TAAR1
SCHEMBL11630630 0.83 SLC2A1 (0.44) SLC2A1ESR1ADRA2AADORA3TACR2
SCHEMBL21799476 0.82 HTR2A (0.47) SLC2A1ALDH1A1SIGMAR1TAAR1
SCHEMBL21799461 0.77 ALDH1A1 (0.53) SLC2A1LMNAALDH1A1TAAR1

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-4088771-A 1-Lower alkyl-4,5-dihydro-5-phenyl-2-lower alkoxy carbonylaminoimidazoles and substituted phenyl derivatives thereof SYNTEX (U.S.A.) INC. (US) 1978-05-09 US disclosed