SCHEMBL11015643

SCHEMBL11015643

CC(=O)N(C1CCN(CCc2ccccc2)CC1)n1cccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.61
OPRD1 P41143 7/20 0.57
OPRK1 P41145 7/20 0.57
ADRA1A P35348 3/20 0.57
ADRA1B P35368 3/20 0.57
SLC22A1 O15245 1/20 0.57
NR1I2 O75469 1/20 0.57
ABCB1 P08183 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
CHRM3 P20309 1/20 0.57
MAOA P21397 1/20 0.57
DRD4 P21917 1/20 0.57
MAOB P27338 1/20 0.57
HRH1 P35367 1/20 0.57
DRD3 P35462 1/20 0.57
CHRNA4 P43681 1/20 0.57
SLC6A3 Q01959 1/20 0.57

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
Hydrochloric Acid SCHEMBL10656003 0.99 OPRM1 (0.60) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL10656085 0.90 OPRM1 (0.60) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL10653487 0.88 OPRM1 (0.67) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL11014348 0.88 ACHE (0.52) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL10656523 0.87 OPRM1 (0.62) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL10653274 0.87 OPRM1 (0.54) OPRM1OPRD1OPRK1ADRA1AADRA1B
Hydrochloric Acid SCHEMBL10655286 0.87 OPRM1 (0.66) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL11015571 0.86 OPRM1 (0.67) OPRM1OPRD1OPRK1ADRA1AADRA1B
Hydrochloric Acid SCHEMBL11012143 0.86 ACHE (0.51) OPRM1OPRD1OPRK1ADRA1AADRA1B
Hydrochloric Acid SCHEMBL10653403 0.86 OPRM1 (0.53) OPRM1OPRD1OPRK1ADRA1AADRA1B

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-4452803-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1984-06-05 US claimed
US-4546105-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-10-08 US disclosed