SCHEMBL10878286

SCHEMBL10878286

CCN(CC)CCOc1ccc(C(O)(CC)c2ccc(Cl)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 4/20 0.72
SIGMAR1 Q99720 4/20 0.72
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
HRH3 Q9Y5N1 4/20 0.47
HTT P42858 3/20 0.47
KCNH2 Q12809 2/20 0.47
ESR1 P03372 2/20 0.47
CHRM2 P08172 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
CHRM1 P11229 2/20 0.47
PTGS1 P23219 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
DRD3 P35462 2/20 0.47
HTR6 P50406 2/20 0.47
SLC6A3 Q01959 2/20 0.47

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
SCHEMBL10878998 0.93 EBP (0.63) EBPSIGMAR1KMT2AMEN1NPSR1
SCHEMBL10878610 0.87 EBP (0.57) EBPSIGMAR1KMT2AMEN1NPSR1
SCHEMBL10356744 0.87 CYP2D6 (0.58) EBPSIGMAR1KMT2AMEN1NPSR1
SCHEMBL10746230 0.87 EBP (0.56) EBPSIGMAR1HRH3KDM4EMAPT
SCHEMBL10880656 0.86 EBP (0.55) EBPSIGMAR1KMT2AMEN1NPSR1
SCHEMBL10358944 0.85 EBP (0.62) EBPSIGMAR1KMT2AMEN1NPSR1
SCHEMBL4310502 0.85 EBP (0.81) EBPSIGMAR1KMT2AMEN1NPSR1
Triparanol SCHEMBL133384 0.84 EBP (1.00) EBPSIGMAR1KMT2AMEN1NPSR1
SCHEMBL10794219 0.84 EBP (0.53) EBPSIGMAR1KMT2AMEN1NPSR1
SCHEMBL10794296 0.84 EBP (0.53) EBPSIGMAR1KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4605672-A ANTIDEPRESSANTS; TREATMENT OF ETHANOLIC INTOXICATION; LOW TOXICITY AND FEW SIDE EFFECTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1986-08-12 US claimed
EP-0115080-B1 (OMEGA-(DIETHYLAMINO)-ALKOXY)-ALPHA-(ETHYL)-BENZHYDROL DERIVATIVES, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-04-16 EP claimed
US-4605672-A ANTIDEPRESSANTS; TREATMENT OF ETHANOLIC INTOXICATION; LOW TOXICITY AND FEW SIDE EFFECTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1986-08-12 US disclosed