SCHEMBL7963339

SCHEMBL7963339

ClCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.59
CHRM2 P08172 4/20 0.59
ADRA2A P08913 4/20 0.59
KCNH2 Q12809 4/20 0.59
CYP2D6 P10635 4/20 0.59
OPRM1 P35372 3/20 0.59
HTR2A P28223 3/20 0.59
HRH1 P35367 3/20 0.59
HTR2B P41595 3/20 0.59
CHRM1 P11229 3/20 0.59
DRD1 P21728 3/20 0.59
SLC6A3 Q01959 3/20 0.59
CHRM4 P08173 2/20 0.59
CHRM5 P08912 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
CHRM3 P20309 2/20 0.59
ADRA1D P25100 2/20 0.59
HTR2C P28335 1/20 0.59
KMT2A Q03164 2/20 0.58
OPRD1 P41143 2/20 0.58

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 SCHEMBL8311562 0.98 DRD3 (0.58) DRD3CHRM2ADRA2AKCNH2CYP2D6
Hydrochloric Acid SCHEMBL9182337 0.91 CYP2D6 (0.68) DRD3CHRM2ADRA2AKCNH2CYP2D6
SCHEMBL8317437 0.90 DRD3 (0.61) DRD3CHRM2ADRA2AKCNH2CYP2D6
Hydrochloric Acid SCHEMBL28643710 0.88 DRD3 (0.59) DRD3CHRM2ADRA2AKCNH2CYP2D6
SCHEMBL7952124 0.84 OPRD1 (0.54) OPRM1KMT2AOPRD1MEN1ALDH1A1
SCHEMBL7391541 0.83 ACHE (0.73) DRD3CHRM2ADRA2AKCNH2CYP2D6
SCHEMBL8371748 0.82 OPRD1 (0.67) DRD3CHRM2ADRA2AKCNH2CYP2D6
SCHEMBL4249388 0.82 LMNA (0.60) DRD3CHRM2ADRA2AKCNH2CYP2D6
SCHEMBL8371746 0.82 OPRM1 (0.59) DRD3CHRM2ADRA2AKCNH2CYP2D6
SCHEMBL7381083 0.82 DRD3 (0.60) DRD3CHRM2ADRA2AKCNH2CYP2D6

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 6 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
US-4792554-A Pyridine compounds, pharaceutical compositions, their use in allergy therapy HOECHST AKTIENGESELLSCHAFT (DE) 1988-12-20 US disclosed
EP-0032058-B1 THIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-26 EP disclosed
US-4411900-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-25 US disclosed
EP-0032058-A1 Thiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-07-15 EP disclosed