SCHEMBL11629612

SCHEMBL11629612

CCCCNC(CN)c1ccc(OCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.59
NQO1 P15559 1/20 0.42
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
GPR88 Q9GZN0 3/20 0.39
FAAH O00519 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL21799461 0.79 ALDH1A1 (0.53) SLC2A1ALDH1A1
SCHEMBL11630630 0.75 SLC2A1 (0.44) SLC2A1TSHRTDP1SIGMAR1ALDH1A1
SCHEMBL21799476 0.74 HTR2A (0.47) SLC2A1SIGMAR1ALDH1A1
SCHEMBL11623397 0.74 SLC2A1 (0.43) SLC2A1TSHRTDP1SIGMAR1ALDH1A1
SCHEMBL21799658 0.73 HTR2A (0.50) SLC2A1SIGMAR1ALDH1A1
SCHEMBL21799711 0.73 HTR2A (0.50) SLC2A1SIGMAR1ALDH1A1
SCHEMBL21799652 0.73 HTR2A (0.50) SLC2A1SIGMAR1ALDH1A1
SCHEMBL21799549 0.73 HTR2A (0.50) SLC2A1SIGMAR1ALDH1A1
SCHEMBL21799659 0.73 HTR2A (0.50) SLC2A1SIGMAR1ALDH1A1
SCHEMBL21799802 0.73 HTR2A (0.50) SLC2A1SIGMAR1ALDH1A1

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