SCHEMBL8946895

SCHEMBL8946895

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 1.00
MTNR1B P49286 10/20 1.00
ALDH1A1 P00352 2/20 0.65
MEN1 O00255 3/20 0.61
MAPT P10636 3/20 0.61
KMT2A Q03164 3/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 1/20 0.60
HSD17B10 Q99714 1/20 0.60
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
AKR1C2 P52895 1/20 0.57

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
SCHEMBL21075898 0.96 MTNR1A (0.92) MTNR1AMTNR1BALDH1A1MEN1MAPT
SCHEMBL8946919 0.88 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL8946906 0.88 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL8947176 0.86 MTNR1B (1.00) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL15428091 0.85 MTNR1A (0.74) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL18222560 0.85 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1MEN1MAPT
SCHEMBL31543713 0.85 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1MEN1MAPT
SCHEMBL8946916 0.85 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1MEN1MAPT
SCHEMBL8946963 0.84 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL18239837 0.83 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1MEN1MAPT

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 1 patent. 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 disclosed