SCHEMBL4695908

SCHEMBL4695908

COc1ccc2nc(C(=O)C(C)(C)C)n(OC(C)=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.42
MTNR1B P49286 7/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4697034 0.90 ALDH1A1 (0.46) MTNR1AMTNR1BALDH1A1HPGDF2
SCHEMBL6047756 0.87 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1HDAC3HDAC4
SCHEMBL4699300 0.78 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1ACSS2NPC1
SCHEMBL4693966 0.77 MTNR1A (0.46) MTNR1AMTNR1BACSS2
SCHEMBL4696828 0.76 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1POLBACSS2
SCHEMBL6047773 0.76 KDM4E (0.45) MTNR1AMTNR1BALDH1A1BRD4KDM4E
SCHEMBL4696635 0.74 BRD4 (0.53) MTNR1AMTNR1BALDH1A1HPGDBRD4
SCHEMBL6047815 0.71 MTNR1A (0.43) MTNR1AMTNR1BPOLBACSS2
SCHEMBL4780614 0.71 TSPO (0.44) MTNR1AMTNR1BACSS2
SCHEMBL6047822 0.70 MC4R (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646614-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2008-09-10 EP claimed
EP-1646614-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-04-19 EP claimed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 WO claimed
EP-1646614-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2008-09-10 EP disclosed
WO-2008030390-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2008-03-13 WO disclosed
EP-1646614-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-04-19 EP disclosed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 WO disclosed