SCHEMBL7753750

SCHEMBL7753750

COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC(=O)c2ccccc2)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.73
HTT P42858 2/20 0.73
CHRM2 P08172 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
DRD2 P14416 1/20 0.73
ADRA2B P18089 1/20 0.73
ADRA2C P18825 1/20 0.73
CNR1 P21554 1/20 0.73
SLC6A2 P23975 1/20 0.73
HTR2A P28223 1/20 0.73
HTR2C P28335 1/20 0.73
ADRA1A P35348 1/20 0.73
HRH1 P35367 1/20 0.73
OPRM1 P35372 1/20 0.73
DRD3 P35462 1/20 0.73
OPRK1 P41145 1/20 0.73
HTR2B P41595 1/20 0.73
CACNA1B Q00975 1/20 0.73
SLC6A3 Q01959 1/20 0.73

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 SCHEMBL8637180 0.99 LMNA (0.71) LMNAHTTCHRM2ADORA3CHRM1
SCHEMBL7757458 0.93 HTT (0.61) LMNAHTTCHRM2ADORA3CHRM1
Hydrochloric Acid SCHEMBL8637261 0.92 HTT (0.60) LMNAHTTCHRM2ADORA3CHRM1
SCHEMBL7756379 0.88 MEN1 (0.61) LMNAHTTCHRM2ADORA3CHRM1
SCHEMBL1152274 0.87 LMNA (0.91) LMNAHTTCHRM2ADORA3CHRM1
Hydrochloric Acid SCHEMBL8637185 0.87 MEN1 (0.60) LMNAHTTCHRM2ADORA3CHRM1
Hydrochloric Acid SCHEMBL7324923 0.86 LMNA (0.89) LMNAHTTCHRM2ADORA3CHRM1
Fumaric Acid SCHEMBL7320343 0.86 LMNA (0.77) LMNAHTTCHRM2ADORA3CHRM1
Fumaric Acid SCHEMBL7320354 0.86 LMNA (0.77) LMNAHTTCHRM2ADORA3CHRM1
SCHEMBL7757934 0.85 ALDH1A1 (0.56) LMNAHTTCHRM2ADORA3CHRM1

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-0847999-B1 N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-03-21 EP disclosed