SCHEMBL9628604

SCHEMBL9628604

COc1ccc2c(c1)C(C(=O)Cl)CC2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.54
MTNR1B P49286 16/20 0.52
NQO2 P16083 10/20 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
SCHEMBL1846866 0.91 MTNR1B (0.52) MTNR1AMTNR1BNQO2
SCHEMBL1842495 0.86 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL19838588 0.86 MTNR1A (0.59) MTNR1AMTNR1BNQO2
SCHEMBL30746730 0.86 MTNR1A (0.56) MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL9628615 0.85 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL2842735 0.85 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL2825083 0.85 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL19852377 0.82 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL10468373 0.82 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL28297098 0.82 MTNR1A (0.52) 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 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-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US 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