SCHEMBL7732846

SCHEMBL7732846

Cc1cc(C2(O)CCCCC2Cc2ccccc2N(C)C)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.43
OPRD1 P41143 5/20 0.43
OPRK1 P41145 4/20 0.43
SLC6A2 P23975 9/20 0.42
SLC6A4 P31645 9/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SLC22A1 O15245 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR3A P46098 5/20 0.33
HTR4 Q13639 1/20 0.33

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
SCHEMBL6941665 0.86 OPRM1 (0.44) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6936956 0.83 SLC6A2 (0.49) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6941381 0.82 SLC6A4 (0.44) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6939036 0.81 SLC6A4 (0.48) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6936284 0.80 SLC6A4 (0.49) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6941054 0.80 SLC6A4 (0.44) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6938759 0.80 SLC6A4 (0.49) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6937417 0.79 SLC6A4 (0.67) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6937031 0.79 SLC6A4 (0.43) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6939180 0.79 SLC6A4 (0.43) OPRM1OPRD1OPRK1SLC6A2SLC6A4

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