SCHEMBL7274429

SCHEMBL7274429

CC(C)C[C@H](NC(=O)C1CCC(=O)C1)C(=O)N1CSCC1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.35
▸ CAPN1 P07384 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ACE P12821 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TRHR P34981 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ STAT3 P40763 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7274436 1.00 KMT2A (0.35) KMT2ACAPN1MAPK1ACETSHR
SCHEMBL7271564 0.84 TRHR (0.47) KMT2ACAPN1TRHRCTSBSTAT3
SCHEMBL7433935 0.80 UBE2N (0.35) KMT2ATSHRKDM4EALDH1A1TRHR
SCHEMBL7433941 0.80 UBE2N (0.35) KMT2ATSHRKDM4EALDH1A1TRHR
SCHEMBL7359544 0.80 TRHR (0.41) TRHR
SCHEMBL7273365 0.79 ACE (0.34) KMT2AACETRHR
SCHEMBL7434222 0.79 TRHR (0.37) TRHR
SCHEMBL7434209 0.79 TRHR (0.37) TRHR
SCHEMBL7430679 0.79 TRHR (0.46) KMT2ACAPN1TRHRCTSB
SCHEMBL7273117 0.72 TRHR (0.47) CAPN1TRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473993-B1 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC (JP) 1996-04-17 — — EP disclosed
US-5151497-A Central nervous system disorders, antidepressants, epilepsy and cognition activators JAPAN TOBACCO INC. (JP) 1992-09-29 — — US disclosed
EP-0473993-A2 Novel peptide derivatives and their pharmaceutical use Japan Tobacco Inc. (JP) 1992-03-11 — — EP disclosed
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