SCHEMBL9628694

SCHEMBL9628694

CCCN(C)CC1Cc2cc(OC)ccc2O1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
DRD2 P14416 5/20 0.45
DRD3 P35462 5/20 0.45
DRD4 P21917 4/20 0.45
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
METAP1 P53582 2/20 0.40
MTNR1A P48039 2/20 0.39
GLS O94925 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL9627919 0.90 HRH3 (0.55) HRH3DRD2DRD3DRD4GABRA1
SCHEMBL9628546 0.81 DRD3 (0.45) HRH3DRD2DRD3DRD4LMNA
SCHEMBL9628703 0.80 ACHE (0.45)
Methylamine SCHEMBL10700886 0.80 HRH3 (0.59) HRH3DRD2DRD3DRD4GABRA1
SCHEMBL9117533 0.77 HRH3 (0.63) HRH3DRD2DRD3GABRA1GABRB2
SCHEMBL9628962 0.76 HRH3 (0.55) HRH3DRD2DRD3GABRA1GABRB2
SCHEMBL8036686 0.75 HRH3 (0.60) HRH3DRD2DRD3GABRA1GABRB2
SCHEMBL10551546 0.74 ACHE (0.51)
SCHEMBL10256487 0.74 HRH3 (0.59) HRH3GABRA1GABRB2MTNR1AGLS
SCHEMBL9628115 0.73 HRH3 (0.57) HRH3GABRA1GABRB2MTNR1AGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281261-B1 3-AMINOMETHYL DERIVATIVES OF INDANE, INDOLINE AND DIHYDROBENZOFURANE AND DIHYDROBENZOTHIOPHENE H. LUNDBECK A/S (DK) 1992-05-06 EP disclosed
US-4946863-A CNS-affecting 6-oxy-3-aminomethyl indanes, compositions thereof, and method of treating therewith H. LUNDBECK A/S (DK) 1990-08-07 US disclosed
US-4847254-A CNS affecting 5-oxy-3-aminomethyl-dihydro-benzofurans and benzothiophenes H. LUNDBECK A/S (DK) 1989-07-11 US disclosed
EP-0281261-A2 3-Aminomethyl derivatives of indane, indoline and dihydrobenzofurane and dihydrobenzothiophene H. LUNDBECK A/S (DK) 1988-09-07 EP disclosed