SCHEMBL10894737

SCHEMBL10894737

C#CC(O)(c1ccc(Cl)cc1)c1ccc(OCCN(CC)CC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 4/20 0.61
▸ SIGMAR1 Q99720 4/20 0.61
▸ ACHE P22303 1/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ ESR1 P03372 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
▸ HTR6 P50406 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPSR1 Q6W5P4 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
SCHEMBL11579492 0.88 CYP2D6 (0.55) EBPSIGMAR1ACHEHRH3KMT2A
SCHEMBL10878286 0.83 EBP (0.72) EBPSIGMAR1ACHEHRH3KMT2A
SCHEMBL10358944 0.82 EBP (0.62) EBPSIGMAR1ACHEHRH3KMT2A
SCHEMBL10896552 0.79 EBP (0.49) EBPSIGMAR1ACHEHRH3KMT2A
SCHEMBL10261885 0.77 LTA4H (0.47) HRH3KMT2AHTTMEN1LMNA
SCHEMBL10262594 0.77 LTA4H (0.47) HRH3CYP2D6LMNALTA4H
SCHEMBL4310502 0.77 EBP (0.81) EBPSIGMAR1ACHEHRH3KMT2A
SCHEMBL10878998 0.76 EBP (0.63) EBPSIGMAR1HRH3KMT2AKCNH2
Hydrochloric Acid SCHEMBL11541119 0.76 AGER (0.57) EBPSIGMAR1ACHEHRH3KMT2A
SCHEMBL8707721 0.76 EBP (0.60) EBPSIGMAR1ACHEHRH3KMT2A

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
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
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