SCHEMBL10896552

SCHEMBL10896552

C#CC(O)(c1ccc(OCCN(CC)CC)cc1)c1cc(C)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 4/20 0.49
▸ SIGMAR1 Q99720 4/20 0.49
▸ ACHE P22303 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.41
▸ MAOB P27338 2/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37

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
SCHEMBL10877318 0.83 EBP (0.57) EBPSIGMAR1ACHEHRH3MAOB
SCHEMBL11579492 0.80 CYP2D6 (0.55) EBPSIGMAR1ACHEHRH3MCHR1
SCHEMBL10894737 0.79 EBP (0.61) EBPSIGMAR1ACHEHRH3MCHR1
SCHEMBL15490909 0.73 ACACB (0.43) EBPSIGMAR1HTTLTA4HKMT2A
SCHEMBL15763651 0.73 LTA4H (0.42) EBPSIGMAR1HRH3LTA4HKMT2A
SCHEMBL11574346 0.72 MEN1 (0.41) CYP2D6CYP2C9CYP2C19KMT2AMAPT
SCHEMBL10741010 0.72 EBP (0.45) EBPSIGMAR1ACHEHRH3CYP2D6
SCHEMBL3420518 0.72 EBP (0.64) EBPSIGMAR1ACHEHRH3MCHR1
Hydrochloric Acid SCHEMBL4624885 0.70 EBP (0.62) EBPSIGMAR1ACHEHRH3MCHR1
SCHEMBL24678322 0.70 CYP3A4 (0.49) EBPSIGMAR1KMT2ASMN1; SMN2DRD3

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
Send feedback