SCHEMBL11534147

SCHEMBL11534147

COc1cccc(C23CCCCC2CN(CCc2ccc(C)cc2)CC3)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A3 Q01959 2/20 0.59
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
OPRM1 P35372 2/20 0.49
HRH3 Q9Y5N1 1/20 0.44
HTR1A P08908 2/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL11632714 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3OPRD1OPRK1
SCHEMBL11536050 0.92 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRD1OPRK1
SCHEMBL11194103 0.92 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRD1OPRK1
SCHEMBL11194100 0.92 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3OPRD1OPRK1
SCHEMBL11632103 0.87 OPRM1 (0.66) OPRD1OPRK1OPRM1
SCHEMBL11535292 0.87 OPRM1 (0.66) OPRD1OPRK1OPRM1
SCHEMBL11534095 0.87 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3OPRD1OPRK1
SCHEMBL11534092 0.87 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3OPRD1OPRK1
SCHEMBL11633462 0.87 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3OPRD1OPRK1
Hydrochloric Acid SCHEMBL11533289 0.86 OPRK1 (0.65) OPRD1OPRK1OPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 US claimed
US-4077954-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-03-07 US claimed
US-4077954-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-03-07 US disclosed