SCHEMBL5169688

SCHEMBL5169688

COc1cccc(C=C2CCCC(C(C)(C)N)C2(O)c2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 6/20 0.35
OPRL1 P41146 5/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 2/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL5169685 0.83 SLC6A2 (0.44) GRIN2BRAB9ALMNAGAAMAPT
SCHEMBL5169679 0.83 SLC6A2 (0.44) GRIN2BRAB9ALMNAGAAMAPT
SCHEMBL5170503 0.81 SLC6A2 (0.46) GRIN2BOPRM1OPRL1OPRD1OPRK1
SCHEMBL5170791 0.81 SLC6A2 (0.46) GRIN2BOPRM1OPRL1OPRD1OPRK1
SCHEMBL7188687 0.78 GRIN2B (0.40) GRIN2BRAB9ALMNAGAAMAPT
SCHEMBL5169692 0.77 GRIN2B (0.38) GRIN2BRAB9ALMNAGAAMAPT
SCHEMBL5170874 0.76 OPRM1 (0.39) GRIN2BRAB9ALMNAGAAMAPT
SCHEMBL5170803 0.76 OPRM1 (0.39) GRIN2BRAB9ALMNAGAAMAPT
SCHEMBL5168065 0.74 SLC6A2 (0.41) GRIN2BOPRM1OPRL1OPRD1OPRK1
SCHEMBL5168072 0.74 SLC6A2 (0.41) GRIN2BOPRM1OPRL1OPRD1OPRK1

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-1322590-B1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES GRUENENTHAL GMBH (DE) 2007-05-02 EP claimed