SCHEMBL11264847

SCHEMBL11264847

CCCCCCCCC(NCC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.54
TACR3 P29371 1/20 0.43
NAAA Q02083 2/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 1/20 0.41
ASAH1 Q13510 2/20 0.41
CSNK1E P49674 1/20 0.41
ACER2 Q5QJU3 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40

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
SCHEMBL19513915 1.00 SLC2A1 (0.54) SLC2A1TACR3NAAAALDH1A1POLB
SCHEMBL27462652 0.98 SLC2A1 (0.55) SLC2A1TACR3NAAAALDH1A1POLB
SCHEMBL7764338 0.91 SLC2A1 (0.63) SLC2A1TACR3ALDH1A1HTR2AOPRM1
SCHEMBL8720798 0.91 SLC2A1 (0.63) SLC2A1TACR3ALDH1A1HTR2AOPRM1
SCHEMBL7760671 0.91 SLC2A1 (0.63) SLC2A1TACR3ALDH1A1HTR2AOPRM1
SCHEMBL8724625 0.91 SLC2A1 (0.63) SLC2A1TACR3ALDH1A1HTR2AOPRM1
SCHEMBL8720401 0.91 SLC2A1 (0.63) SLC2A1TACR3ALDH1A1HTR2AOPRM1
SCHEMBL7766083 0.91 SLC2A1 (0.63) SLC2A1TACR3ALDH1A1HTR2AOPRM1
SCHEMBL8722870 0.91 SLC2A1 (0.63) SLC2A1TACR3ALDH1A1HTR2AOPRM1
SCHEMBL8720398 0.88 SLC2A1 (0.49) SLC2A1TACR3NAAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4357476-A Nonylamines CIBA GEIGY CORPORATION, N.Y. (US) 1982-11-02 US disclosed
US-4139560-A Nonylamines CIBA GEIGY CORPORATION (US) 1979-02-13 US disclosed