SCHEMBL7315305

SCHEMBL7315305

COc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.78
OPRK1 P41145 2/20 0.78
HTT P42858 2/20 0.78
LMNA P02545 2/20 0.78
ADORA3 P0DMS8 1/20 0.78
CHRM1 P11229 1/20 0.78
DRD2 P14416 1/20 0.78
ADRA2B P18089 1/20 0.78
ADRA2C P18825 1/20 0.78
CNR1 P21554 1/20 0.78
SLC6A2 P23975 1/20 0.78
HTR2A P28223 1/20 0.78
HTR2C P28335 1/20 0.78
ADRA1A P35348 1/20 0.78
HRH1 P35367 1/20 0.78
OPRM1 P35372 1/20 0.78
DRD3 P35462 1/20 0.78
HTR2B P41595 1/20 0.78
CACNA1B Q00975 1/20 0.78
SLC6A3 Q01959 1/20 0.78

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 SCHEMBL10731346 0.97 CHRM2 (0.74) CHRM2OPRK1HTTLMNAADORA3
SCHEMBL1152274 0.93 LMNA (0.91) CHRM2OPRK1HTTLMNAADORA3
Hydrochloric Acid SCHEMBL7324923 0.92 LMNA (0.89) CHRM2OPRK1HTTLMNAADORA3
Lomerizine SCHEMBL29496366 0.88 LMNA (1.00) CHRM2OPRK1HTTLMNAADORA3
Lomerizine SCHEMBL79390 0.88 LMNA (1.00) CHRM2OPRK1HTTLMNAADORA3
SCHEMBL10494953 0.88 MEN1 (0.63) CHRM2OPRK1HTTLMNAADORA3
SCHEMBL7757458 0.87 HTT (0.61) CHRM2OPRK1HTTLMNAADORA3
Lomerizine SCHEMBL29439945 0.86 LMNA (0.98) CHRM2OPRK1HTTLMNAADORA3
Lomerizine SCHEMBL1153647 0.86 LMNA (0.98) CHRM2OPRK1HTTLMNAADORA3
Lomerizine SCHEMBL404179 0.86 LMNA (0.98) CHRM2OPRK1HTTLMNAADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159566-A1 Novel piperazine derivatives, processes for production thereof, and pharmaceutical compositions comprising said compounds as active ingredient KANEBO, LTD. (JP) 1985-10-30 EP disclosed