SCHEMBL10880656

SCHEMBL10880656

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 4/20 0.55
SIGMAR1 Q99720 4/20 0.55
HTT P42858 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
LTA4H P09960 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ESR1 P03372 5/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
KCNH2 Q12809 2/20 0.44
CHRM2 P08172 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CHRM1 P11229 2/20 0.44
PTGS1 P23219 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
DRD3 P35462 2/20 0.44

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
SCHEMBL10893666 0.96 EBP (0.52) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL10877202 0.90 EBP (0.49) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL10356744 0.87 CYP2D6 (0.58) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL10878286 0.86 EBP (0.72) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL10883714 0.84 GALR3 (0.48) EBPSIGMAR1ESR1HRH3KDM4E
SCHEMBL10890295 0.82 EBP (0.61) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL10880850 0.82 HRH3 (0.48) EBPSIGMAR1HRH3KDM4ESMN1; SMN2
Tribromoethanol SCHEMBL11621823 0.82 CYP2D6 (0.52) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL10878610 0.80 EBP (0.57) EBPSIGMAR1HTTCYP2D6CYP1A2
Fumaric Acid SCHEMBL11622225 0.80 BCHE (0.55) EBPSIGMAR1HTTCYP2D6CYP1A2

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