SCHEMBL9628113

SCHEMBL9628113

CCCN(CCC)CC1CCc2ccc(OC)cc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.53
NQO2 P16083 11/20 0.53
MTNR1B P49286 11/20 0.53
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
DRD4 P21917 2/20 0.52

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
SCHEMBL9627859 0.90 GRIN1 (0.46) MTNR1ANQO2MTNR1BDRD2DRD3
SCHEMBL9628081 0.82 ACHE (0.60)
SCHEMBL2421262 0.81 MTNR1A (0.65) MTNR1ANQO2MTNR1B
SCHEMBL11647146 0.81 MTNR1A (0.62) MTNR1ANQO2MTNR1B
SCHEMBL9627819 0.81 ADRA2A (0.57) MTNR1ANQO2MTNR1BDRD2DRD3
SCHEMBL8432456 0.81 ADRA2A (0.50) DRD2DRD3DRD4
SCHEMBL10467975 0.80 MTNR1A (0.55) MTNR1ANQO2MTNR1B
SCHEMBL9628479 0.80 ACHE (0.44) MTNR1ANQO2MTNR1B
SCHEMBL9627778 0.79 MCHR1 (0.48) MTNR1ANQO2MTNR1B
SCHEMBL8645028 0.77 ADRA2A (0.47) MTNR1ANQO2MTNR1BDRD2DRD3

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