SCHEMBL7952124

SCHEMBL7952124

ClCCN1CCN(C(c2ccccc2)c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.54
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
ALDH1A1 P00352 1/20 0.52
IDH1 O75874 4/20 0.51
P2RX7 Q99572 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC1A3 P43003 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL9217851 0.86 OPRD1 (0.54) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL27363283 0.86 OPRD1 (0.54) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL9255737 0.84 IDH1 (0.54) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL7963339 0.84 DRD3 (0.59) OPRD1OPRM1OPRK1ALDH1A1P2RX7
SCHEMBL9256961 0.83 OPRD1 (0.51) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL7181030 0.83 LMNA (0.55) OPRD1OPRM1OPRK1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL8311562 0.82 DRD3 (0.58) OPRD1OPRM1OPRK1ALDH1A1P2RX7
SCHEMBL9250007 0.80 DRD2 (0.65) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL8317437 0.78 DRD3 (0.61) OPRM1OPRK1P2RX7
SCHEMBL27342830 0.77 ACHE (0.52) OPRD1OPRM1OPRK1OPRL1IDH1

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-6310067-B1 1-(DIPHENYLMETHYL-PIPERAZINYLETHYL)UROCANIC ACID METHYL ESTER FOR EXAMPLE; GOOD SOLUBILITY; TREATING ALLERGIC DISEASES SENJU PHARMACEUTICAL CO., LTD. (JP) 2001-10-30 US disclosed
EP-1054003-A1 UROCANIC ACID DERIVATIVES Senju Pharmaceutical Co., Ltd. (JP) 2000-11-22 EP disclosed