SCHEMBL11106966

SCHEMBL11106966

N#CN=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.50
ADRA1D P25100 5/20 0.47
ADRA1A P35348 5/20 0.47
ADRA1B P35368 5/20 0.47
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
OPRK1 P41145 5/20 0.44
OPRD1 P41143 4/20 0.44
OPRL1 P41146 4/20 0.44
CHRM1 P11229 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM5 P08912 1/20 0.44
HTR7 P34969 1/20 0.44
DRD3 P35462 1/20 0.44
HSD11B1 P28845 1/20 0.44
DRD4 P21917 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL11032558 0.84 OPRM1 (0.70) OPRM1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11099453 0.81 HSD11B1 (0.54) OPRM1ADRA1DADRA1AADRA1BOPRK1
SCHEMBL11104912 0.75 LMNA (0.39) OPRM1OPRK1OPRD1LMNAMAPK1
SCHEMBL11030906 0.73 OPRL1 (0.52) OPRM1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11105880 0.73 KMT2A (0.45) OPRM1LMNAMAPK1ALDH1A1TSHR
SCHEMBL11033405 0.71 OPRM1 (0.66) OPRM1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11033786 0.69 OPRL1 (0.69) OPRM1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11031220 0.69 ADRA1A (0.69) OPRM1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11267525 0.69 LMNA (0.46) OPRM1ADRA1DADRA1AADRA1BADRB2
SCHEMBL4932296 0.68 CHRM1 (0.62) OPRM1ADRA1DADRA1AADRA1BOPRK1

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
EP-0029707-B1 NOVEL PIPERIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-02-01 EP disclosed
US-4410528-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-10-18 US disclosed
EP-0029707-A1 Novel piperidine derivatives, method for the preparation thereof and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-06-03 EP disclosed