SCHEMBL9119067

SCHEMBL9119067

COc1ccc2onc(CCNC(=O)CCCl)c2c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.57
MTNR1B P49286 11/20 0.57
ALDH1A1 P00352 1/20 0.46
NQO2 P16083 1/20 0.45

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
SCHEMBL9124933 0.93 MTNR1A (0.65) MTNR1AMTNR1BALDH1A1
SCHEMBL9121548 0.85 MTNR1A (0.63) MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL9121405 0.81 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL9120386 0.80 MTNR1A (0.67) MTNR1AMTNR1BALDH1A1
SCHEMBL8798778 0.77 MTNR1A (0.60) MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL25290265 0.73 HTR2A (0.50) MTNR1AMTNR1B
SCHEMBL23115220 0.73 MAPT (0.68) ALDH1A1
SCHEMBL9122304 0.73 ACHE (0.51) ALDH1A1
SCHEMBL11798029 0.72 MAPT (0.51) ALDH1A1
Hydrochloric Acid SCHEMBL25295714 0.72 HTR2A (0.49) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380750-A Arylethylamine compounds ADIR ET COMPAGNIE (FR) 1995-01-10 US disclosed
US-5276051-A Treatment of melatoninergic system, antiischemic agents and skin disorders using aminoalkylindole compounds ADIR ET COMPAGNIE (FR) 1994-01-04 US disclosed