SCHEMBL9765029

SCHEMBL9765029

CCCCCCCCNC1(c2ccccc2)CCCC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.70
GRIN3B O60391 2/20 0.70
GRIA1 P42261 2/20 0.70
GRIA2 P42262 2/20 0.70
GRIA3 P42263 2/20 0.70
GRIA4 P48058 2/20 0.70
GRIN1 Q05586 2/20 0.70
GRIN2A Q12879 2/20 0.70
GRIN2B Q13224 2/20 0.70
GRIN2C Q14957 2/20 0.70
GRIN3A Q8TCU5 2/20 0.70
OPRM1 P35372 2/20 0.44
OPRL1 P41146 2/20 0.44
NAAA Q02083 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
NAMPT P43490 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL5328724 0.92 GRIN2D (0.68) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL30534232 0.85 GRIN2D (0.62) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL19242764 0.84 GRIN2D (0.97) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL28320786 0.84 GRIN1 (0.55) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL3504791 0.82 GRIN2D (0.49) GRIN2DGRIN3BGRIA1GRIA2GRIA3
Bromide SCHEMBL20501902 0.81 GRIN2D (0.97) GRIN2DGRIN3BGRIA1GRIA2GRIA3
Hydrochloric Acid SCHEMBL5312402 0.80 GRIN2D (0.52) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL29728985 0.80 GRIN2D (0.61) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL5153683 0.79 GRIN2D (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL22222298 0.79 GRIN2D (0.50) GRIN2DGRIN3BGRIA1GRIA2GRIA3

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-4994465-A Antihyperlipidemic and antiatherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1991-02-19 US disclosed
EP-0384320-A1 Antihyperlipidemic and anti-atherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed