SCHEMBL9302823

SCHEMBL9302823

Clc1cccc(CN2CCC(CNCC3COc4ccccc4O3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 11/20 0.62
ADRA1A P35348 11/20 0.62
ADRA1B P35368 11/20 0.62
AIMP2 Q13155 1/20 0.57
CXCR4 P61073 1/20 0.56
HTR1A P08908 3/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
HTR2C P28335 1/20 0.55
DRD3 P35462 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SIGMAR1 Q99720 2/20 0.53

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
SCHEMBL9303150 0.88 ADRA1D (0.59) ADRA1DADRA1AADRA1BCXCR4HTR1A
SCHEMBL9302789 0.85 ADRA1D (0.56) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL9301600 0.85 ADRA1D (0.74) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9303125 0.84 ADRA1D (0.63) ADRA1DADRA1AADRA1BCXCR4HTR1A
SCHEMBL9302459 0.84 CXCR4 (0.54) ADRA1DADRA1AADRA1BAIMP2CXCR4
SCHEMBL9300949 0.81 ADRA1D (0.66) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9302003 0.80 ADRA1D (0.60) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9301658 0.79 ADRA1D (0.64) ADRA1DADRA1AADRA1BCXCR4HTR1A
SCHEMBL21198691 0.79 ADRA1D (0.53) ADRA1DADRA1AADRA1BCXCR4HTR1A
SCHEMBL30526449 0.79 ADRA1D (0.53) ADRA1DADRA1AADRA1BCXCR4HTR1A

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-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US claimed
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US disclosed