SCHEMBL27504186

SCHEMBL27504186

O=C1CC[C@@H](C(=O)NC(Cc2c[nH]cn2)C(=O)NC(=O)[C@@H]2CCCN2)N1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 5/20 0.41
▸ HDAC3 O15379 5/20 0.38
▸ HDAC11 Q96DB2 5/20 0.38
▸ HDAC6 Q9UBN7 5/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC2 Q92769 4/20 0.38
▸ HDAC10 Q969S8 4/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38

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
SCHEMBL1370995 0.97 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL27448785 0.91 TRHR (0.37) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL7649422 0.86 TRHR (0.43) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11816929 0.85 TRHR (0.38) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11034489 0.83 TRHR (0.44) TRHR
SCHEMBL27772272 0.83 KLK7 (0.35) TRHR
SCHEMBL6026783 0.82 TRHR (0.46) TRHR
SCHEMBL29405912 0.82 TRHR (0.46) TRHR
SCHEMBL6026780 0.82 TRHR (0.46) TRHR
SCHEMBL27869228 0.82 TRHR (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101817870-B Preparation method of thyrotropin releasing hormone and pharmaceutically acceptable salt thereof JINAN ZHAODE BIOTECHNOLOGY CO LTD 2012-04-18 — — CN disclosed
CN-101817870-A Thyrotropin-releasing hormone and preparation method of pharmaceutically usable salt thereof JINAN ZHAODE BIOTECHNOLOGY CO LTD 2010-09-01 — — CN disclosed
CN-1283314-C Antiparkinsonism drugs SHIONOGI & CO (JP) 2006-11-08 — — CN disclosed
CN-1471404-A anti-Parkinson's disease medicine 盐野义制药株式会社 2004-01-28 — — CN disclosed
CN-1194648-A Spiro [ 2H-1-benzopyran-2, 4' -piperidine ] -4- (3H) -one derivatives, acid addition salts thereof and pharmaceutical compositions containing them RICHTER GEDEON VEGY ZETI GYAR (HU) 1998-09-30 — — CN disclosed
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