SCHEMBL11220261

SCHEMBL11220261

CCOC(=O)C1(c2ccc(Br)cc2)CCNCC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.74
OPRD1 P41143 3/20 0.50
OPRK1 P41145 3/20 0.50
SLC22A1 O15245 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL1510 0.90 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8187471 0.88 OPRM1 (0.78) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL343848 0.87 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4114 0.87 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4873297 0.86 OPRM1 (0.74) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL378824 0.86 OPRM1 (0.74) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Normeperidine SCHEMBL341796 0.85 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL9899781 0.85 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Normeperidine SCHEMBL4537496 0.84 OPRM1 (0.97) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Normeperidine SCHEMBL8177568 0.84 OPRM1 (0.97) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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-4324791-A DERIVATIVES OF 3,3-DIPHENYL-2-PYRROLIDINONES A. H. ROBINS COMPANY, INC. (US) 1982-04-13 US disclosed
US-4120969-A ANALGETIC, ANTIDIARRHEAL ACTIVITY A. H. ROBINS COMPANY, INCORPORATED (US) 1978-10-17 US disclosed