SCHEMBL6930033

SCHEMBL6930033

COc1ccc2[nH]cc(CCNC(=O)C(C)(C)C)c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.81
MTNR1B P49286 6/20 0.76
KMT2A Q03164 3/20 0.76
ALDH1A1 P00352 2/20 0.76
MEN1 O00255 2/20 0.76
KDM4E B2RXH2 1/20 0.76
CYP1A1 P04798 1/20 0.76
MPO P05164 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
HTR1A P08908 1/20 0.76
CYP2D6 P10635 1/20 0.76
HPGD P15428 1/20 0.76
NQO2 P16083 1/20 0.76
HTR2B P41595 1/20 0.76
RAB9A P51151 1/20 0.76
BLM P54132 1/20 0.76
PMP22 Q01453 1/20 0.76
CYP1B1 Q16678 1/20 0.76
NOTUM Q6P988 1/20 0.76

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
SCHEMBL9121109 0.89 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1MEN1
Melatonin SCHEMBL4686085 0.86 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1MEN1
Melatonin SCHEMBL29349848 0.86 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL28872503 0.86 MTNR1A (0.83) MTNR1AMTNR1BKMT2AALDH1A1MEN1
Melatonin SCHEMBL8060688 0.86 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL23644935 0.86 MTNR1A (0.83) MTNR1AMTNR1BKMT2AALDH1A1MEN1
Melatonin SCHEMBL19018 0.86 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL6927448 0.86 MTNR1A (0.74) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL6924413 0.86 MTNR1A (0.76) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL7799780 0.86 MTNR1A (0.78) MTNR1AMTNR1BKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP claimed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO claimed
WO-2004085395-A1 MELATONIN DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL DYSFUNCTIONS FAUST PHARMACEUTICALS (FR) 2004-10-07 WO disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO disclosed