SCHEMBL10691350

SCHEMBL10691350

O=C1NC(=O)C(CC2CCc3ccccc3N2Cc2ccccc2)S1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 11/20 0.54
▸ MTNR1B P49286 2/20 0.53
▸ RIPK1 Q13546 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 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
SCHEMBL10687997 0.81 PPARG (0.48) MTNR1AMTNR1BPPARG
SCHEMBL10688284 0.74 MTNR1A (0.62) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL430674 0.73 MTNR1A (0.61) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL10683484 0.71 PPARG (0.49) MTNR1APPARG
SCHEMBL4553401 0.71 MTNR1A (0.58) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL10688765 0.70 MTNR1A (0.41) MTNR1AMTNR1BPPARG
SCHEMBL28422916 0.70 MTNR1A (0.58) MTNR1AMTNR1BPOLBHDAC1HDAC2
Lithium Ion SCHEMBL4553399 0.70 MTNR1A (0.57) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL6694328 0.69 MTNR1A (0.60) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL10685775 0.69 PPARG (0.49) PPARG

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-4738972-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1988-04-19 — — US disclosed
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