SCHEMBL11601769

SCHEMBL11601769

CCOC(=O)C1(c2ccccc2)CCN(CCO)CC1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.80
OPRD1 P41143 7/20 0.80
OPRK1 P41145 6/20 0.80
SLC22A1 O15245 1/20 0.76
SLC6A4 P31645 1/20 0.76
ADRA1A P35348 1/20 0.76
KCNH2 Q12809 1/20 0.76
KCNA3 P22001 3/20 0.74
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
KMT2A Q03164 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL11712840 0.91 OPRM1 (0.82) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Etoxeridine SCHEMBL908077 0.89 OPRM1 (0.71) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL11712071 0.89 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL11708747 0.88 KCNA3 (0.80) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL11599945 0.88 OPRM1 (0.78) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL11603600 0.87 OPRM1 (0.79) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Pheneridine SCHEMBL1922392 0.87 KCNA3 (0.86) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Morpheridine SCHEMBL908537 0.87 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL25431 0.86 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Carperidine SCHEMBL2107753 0.86 OPRM1 (0.74) 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-4072686-A ANTIDIARRHEAL G. D. SEARLE & CO. (US) 1978-02-07 US disclosed
US-4066654-A 1-TRIARYLALKYL-4-PHENYL-4-PIPERIDINE CARBOXYLIC ACIDS AND DERIVATIVES G. D. SEARLE & CO. (US) 1978-01-03 US disclosed