SCHEMBL14185754

SCHEMBL14185754

NC(=O)CC(NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 5/20 0.55
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL14185761 0.92 TRHR (0.53) TRHR
SCHEMBL14185758 0.89 TRHR (0.51) TRHR
SCHEMBL14185765 0.89 TRHR (0.51) TRHR
SCHEMBL13268614 0.89 TRHR (0.53) TRHR
SCHEMBL13270188 0.88 TRHR (0.52) TRHR
SCHEMBL13268586 0.88 NPSR1 (0.51) TRHR
SCHEMBL14185762 0.88 TRHR (0.56) TRHR
SCHEMBL13268613 0.86 TRHR (0.50) TRHR
SCHEMBL14185753 0.86 TRHR (0.68) TRHR
SCHEMBL3132248 0.86 TRHR (0.68) TRHR

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-7378397-B2 TRH-degrading ectoenzyme inhibitors THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2008-05-27 — — US disclosed
US-7378397-B2 TRH-degrading ectoenzyme inhibitors THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2008-05-27 — — US disclosed
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