SCHEMBL8946906

SCHEMBL8946906

COc1ccc2[nH]c(Br)c(CCNC(=O)C3CC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 1.00
MTNR1B P49286 13/20 1.00
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL8946895 0.88 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL8946919 0.87 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL1311849 0.85 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL8947176 0.85 MTNR1B (1.00) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL15428091 0.84 MTNR1A (0.74) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL21075898 0.84 MTNR1A (0.92) MTNR1AMTNR1BALDH1A1KDM4EHSD17B10
SCHEMBL8946963 0.83 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL14175652 0.81 MTNR1A (0.76) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL4759323 0.78 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL9119612 0.77 MTNR1A (0.65) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2

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-5552428-A ANTIARRHYTHMIA AGENTS FOR CARDIOVASCULAR DISORDERS USING MELATONIN DERIVATIVES INSTITUTO FARMACOLOGICO LOMBARDO-IFLO, S.A.S. (IT) 1996-09-03 US claimed
US-5552428-A ANTIARRHYTHMIA AGENTS FOR CARDIOVASCULAR DISORDERS USING MELATONIN DERIVATIVES INSTITUTO FARMACOLOGICO LOMBARDO-IFLO, S.A.S. (IT) 1996-09-03 US disclosed