SCHEMBL9629898

SCHEMBL9629898

CCC(=O)NCC1COc2ccc(OC)cc21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.56
MTNR1B P49286 5/20 0.56
NQO2 P16083 3/20 0.51

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
SCHEMBL136496 0.88 MTNR1A (0.64) MTNR1AMTNR1BNQO2
SCHEMBL9628106 0.79 PPARD (0.56)
SCHEMBL5263981 0.79 MTNR1A (0.57) MTNR1AMTNR1BNQO2
SCHEMBL135119 0.79 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL24090506 0.79 HTR2B (0.55) MTNR1A
SCHEMBL9628948 0.79 HTR1A (0.55) MTNR1A
SCHEMBL3652699 0.78 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL10689067 0.78 MTNR1A (0.46) MTNR1AMTNR1BNQO2
SCHEMBL132847 0.78 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL10689060 0.78 MTNR1A (0.46) MTNR1AMTNR1BNQO2

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
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