SCHEMBL20032033

SCHEMBL20032033

CCCCC(C)NCCC(N)CCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
ADRB2 P07550 8/20 0.36
ALDH1A1 P00352 1/20 0.35
DPP7 Q9UHL4 2/20 0.34
SLC15A1 P46059 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL31008640 0.80 ADRB2 (0.43) OPRM1ADRB2ALDH1A1ADH1BADH1C
SCHEMBL20661514 0.80 ANPEP (0.32) ALDH1A1
SCHEMBL24023317 0.79 ADRB2 (0.38) OPRM1ADRB2ALDH1A1ADH1BADH1C
SCHEMBL19214760 0.79 ALDH1A1 (0.35) OPRM1ALDH1A1
SCHEMBL28726709 0.78 ADRB2 (0.42) OPRM1ADRB2ALDH1A1ADH1BADH1C
SCHEMBL20016406 0.78 SIGMAR1 (0.42) OPRM1ADRB2ALDH1A1ADH1BADH1C
SCHEMBL24337442 0.78 ADRB2 (0.42) OPRM1ADRB2ALDH1A1ADH1BADH1C
SCHEMBL15505245 0.78 SIGMAR1 (0.42) OPRM1ADRB2ALDH1A1ADH1BADH1C
SCHEMBL7558477 0.77 ADRB2 (0.39) OPRM1ADRB2ALDH1A1DPP7ADH1B
SCHEMBL26363864 0.76 ALDH1A1 (0.43) OPRM1ADRB2ALDH1A1DPP7ADH1B

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-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed