SCHEMBL11032634

SCHEMBL11032634

COc1ccc(C(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.71
ADRA1A P35348 3/20 0.71
ADRA1B P35368 3/20 0.71
ADRB2 P07550 2/20 0.71
ADRB1 P08588 2/20 0.71
ADRB3 P13945 2/20 0.71
OPRL1 P41146 9/20 0.61
OPRM1 P35372 9/20 0.57
PLD1 Q13393 2/20 0.56
PLD2 O14939 1/20 0.55
HSD11B1 P28845 1/20 0.53

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 SCHEMBL11033995 0.99 ADRA1D (0.72) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL10414989 0.92 ADRA1D (0.68) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11427976 0.91 ADRA1D (0.77) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11034160 0.91 ADRA1D (0.66) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11443065 0.90 ADRA1D (0.73) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL11443046 0.89 ADRA1D (0.83) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL11438152 0.89 ADRA1D (0.84) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL11443041 0.87 ADRA1D (0.74) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL10416818 0.87 ADRA1D (0.69) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL11032713 0.85 ADRA1A (0.63) ADRA1DADRA1AADRA1BADRB2ADRB1

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-4446141-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO. (JP) 1984-05-01 US disclosed
EP-0018417-A1 Novel piperidine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1980-11-12 EP disclosed