SCHEMBL11033786

SCHEMBL11033786

O=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.69
ADRA1A P35348 4/20 0.68
ADRA1D P25100 3/20 0.68
ADRA1B P35368 3/20 0.68
ADRB2 P07550 3/20 0.68
ADRB1 P08588 3/20 0.68
ADRB3 P13945 3/20 0.68
OPRM1 P35372 7/20 0.65
OPRK1 P41145 3/20 0.65
PLD1 Q13393 1/20 0.61
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
PMP22 Q01453 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 1/20 0.60
CHRM1 P11229 3/20 0.59
DRD2 P14416 2/20 0.59
KCNH2 Q12809 2/20 0.59
MEN1 O00255 1/20 0.59

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
SCHEMBL11437430 0.89 ADRA1D (0.66) OPRL1ADRA1AADRA1DADRA1BADRB2
SCHEMBL5984390 0.88 OPRL1 (0.75) OPRL1ADRA1AADRA1DADRA1BADRB2
SCHEMBL11031220 0.87 ADRA1A (0.69) OPRL1ADRA1AADRA1DADRA1BADRB2
Hydrochloric Acid SCHEMBL11032271 0.86 ADRA1A (0.80) OPRL1ADRA1AADRA1DADRA1BADRB2
SCHEMBL11428029 0.85 ADRA1A (0.83) OPRL1ADRA1AADRA1DADRA1BADRB2
SCHEMBL11032634 0.84 ADRA1D (0.71) OPRL1ADRA1AADRA1DADRA1BADRB2
SCHEMBL11034160 0.84 ADRA1D (0.66) OPRL1ADRA1AADRA1DADRA1BADRB2
SCHEMBL11032558 0.84 OPRM1 (0.70) OPRL1ADRA1AADRA1DADRA1BADRB2
SCHEMBL23374511 0.83 PLD1 (0.72) OPRL1OPRM1OPRK1PLD1KDM4E
Hydrochloric Acid SCHEMBL11033995 0.83 ADRA1D (0.72) OPRL1ADRA1AADRA1DADRA1BADRB2

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
US-4446141-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO. (JP) 1984-05-01 US disclosed
EP-0018417-B1 NOVEL PIPERIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1982-06-30 EP disclosed
EP-0018417-A1 Novel piperidine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1980-11-12 EP disclosed