SCHEMBL10697937

SCHEMBL10697937

ClCCN(CCc1ccccc1)C1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.63
OPRK1 P41145 6/20 0.63
OPRD1 P41143 5/20 0.63
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.47
SLC18A3 Q16572 1/20 0.45
GRIN2B Q13224 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL10700575 0.98 OPRM1 (0.61) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL11880676 0.83 KMT2A (0.49) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL2355874 0.81 GRIN2B (0.60) OPRM1OPRK1OPRD1MEN1KMT2A
Hydrochloric Acid SCHEMBL9315866 0.80 GRIN2B (0.59) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL11092646 0.79 OPRM1 (0.45) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL18114794 0.78 OPRK1 (1.00) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL16757238 0.77 SLC6A2 (0.56) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL29118968 0.77 CYP2D6 (0.35) OPRM1OPRK1OPRD1ALDH1A1HTT
SCHEMBL21047682 0.76 OPRM1 (0.55) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL3154343 0.75 KMT2A (0.55) OPRM1OPRK1OPRD1MEN1KMT2A

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
EP-0289881-A2 2-Aminoalkyl-4-benzyl-1-(2H)-phthalazinone derivatives ASTA Medica Aktiengesellschaft (DE) 1988-11-09 EP disclosed