SCHEMBL7732583

SCHEMBL7732583

CN(C)C(c1ccccc1)C1CCCCC1(O)c1ccccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.38
SLC6A4 P31645 4/20 0.38
KDR P35968 1/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRK1 P41145 4/20 0.35
OPRD1 P41143 3/20 0.35
SLC6A2 P23975 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRL1 P41146 4/20 0.33
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A9 P48067 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.32
NR3C1 P04150 1/20 0.32
TSHR P16473 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
SCHEMBL5161138 0.89 OPRM1 (0.42) OPRM1SLC6A4KDRSLC6A3OPRK1
SCHEMBL6937453 0.85 SLC6A4 (0.46) OPRM1SLC6A4KDRSLC6A3OPRK1
SCHEMBL6937006 0.85 MEN1 (0.34) OPRM1SLC6A4KDRSLC6A3OPRK1
SCHEMBL5159940 0.85 OPRM1 (0.40) OPRM1SLC6A4KDRSLC6A3OPRK1
SCHEMBL6938750 0.84 OPRM1 (0.40) OPRM1SLC6A4KDRSLC6A3OPRK1
SCHEMBL6941375 0.81 OPRM1 (0.41) OPRM1SLC6A4KDRSLC6A3OPRK1
SCHEMBL6939122 0.81 TACR1 (0.35) OPRM1SLC6A4KDRSLC6A3OPRK1
SCHEMBL6937411 0.81 OPRM1 (0.56) OPRM1SLC6A4KDRSLC6A3OPRK1
SCHEMBL5161148 0.80 SLC6A4 (0.38) OPRM1SLC6A4KDRSLC6A3OPRK1
SCHEMBL6937026 0.80 OPRM1 (0.40) OPRM1SLC6A4KDRSLC6A3OPRK1

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-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US disclosed