SCHEMBL7271564

SCHEMBL7271564

CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)C1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 5/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ CAPN1 P07384 2/20 0.45
▸ CTSB P07858 1/20 0.44
▸ STAT3 P40763 1/20 0.42

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
SCHEMBL7430679 0.95 TRHR (0.46) TRHRKMT2ACAPN1CTSB
SCHEMBL7273117 0.88 TRHR (0.47) TRHRCAPN1
SCHEMBL7273766 0.88 TRHR (0.47) TRHR
SCHEMBL7282889 0.87 TRHR (0.46) TRHR
SCHEMBL7272408 0.86 TRHR (0.46) TRHR
SCHEMBL7429679 0.85 TRHR (0.45) TRHR
SCHEMBL7276757 0.84 TRHR (0.44) TRHR
SCHEMBL7273990 0.84 ELANE (0.43) TRHRKMT2A
SCHEMBL7274429 0.84 KMT2A (0.35) TRHRKMT2ACAPN1CTSBSTAT3
SCHEMBL7274436 0.84 KMT2A (0.35) TRHRKMT2ACAPN1CTSBSTAT3

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
EP-0473993-B1 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC (JP) 1996-04-17 — — EP claimed
EP-0473993-A2 Novel peptide derivatives and their pharmaceutical use Japan Tobacco Inc. (JP) 1992-03-11 — — EP claimed
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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