SCHEMBL11099453

SCHEMBL11099453

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
MAOB P27338 2/20 0.48
OPRM1 P35372 6/20 0.46
OPRK1 P41145 5/20 0.46
OPRD1 P41143 4/20 0.46
OPRL1 P41146 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL11031463 0.85 HSD11B1 (0.74) HSD11B1MAOBOPRM1OPRK1OPRD1
SCHEMBL11106966 0.81 OPRM1 (0.50) HSD11B1OPRM1OPRK1OPRD1OPRL1
SCHEMBL11104730 0.75 MAOB (0.46) MAOBALDH1A1KDM4ENPC1LMNA
SCHEMBL11104724 0.75 MAOB (0.46) MAOBALDH1A1KDM4ENPC1LMNA
SCHEMBL11045230 0.73 MAOB (0.53) HSD11B1MAOBOPRM1OPRK1OPRD1
SCHEMBL11101766 0.73 KMT2A (0.58) MAOBALDH1A1KDM4ENPC1LMNA
SCHEMBL5777516 0.70 PLD2 (0.68) OPRM1OPRK1OPRL1ADRA1ACHRM2
SCHEMBL11430686 0.69 PLD2 (0.61) HSD11B1OPRM1OPRK1OPRL1ADRA1A
SCHEMBL11033245 0.69 PLD2 (0.71) HSD11B1OPRM1OPRK1OPRL1ADRA1A
SCHEMBL11268724 0.69 OPRK1 (0.58) HSD11B1OPRM1OPRK1OPRL1ADRA1D

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