SCHEMBL7434822

SCHEMBL7434822

CSCC[C@H](NC(=O)[C@H]1NC(=O)CC1c1ccccc1)C(=O)N1CSCC1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.39
▸ FNTA P49354 5/20 0.39
▸ FNTB P49356 5/20 0.39
▸ UBE2N P61088 1/20 0.38
▸ PGGT1B P53609 1/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ PPID Q08752 3/20 0.34
▸ PPIG Q13427 1/20 0.34

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
SCHEMBL7433790 0.93 UBE2N (0.38) NPSR1FNTAFNTBUBE2NPGGT1B
SCHEMBL7433784 0.93 UBE2N (0.38) NPSR1FNTAFNTBUBE2NPGGT1B
SCHEMBL7281265 0.86 TRHR (0.45) NPSR1PPIDPPIG
SCHEMBL7279683 0.85 FNTA (0.33) ALDH1A1FNTAFNTBUBE2NPGGT1B
SCHEMBL7280342 0.84 UBE2N (0.33) FNTAFNTBUBE2NPGGT1B
SCHEMBL7434279 0.81 TRHR (0.37) UBE2N
SCHEMBL7434285 0.81 TRHR (0.37) UBE2N
SCHEMBL7274298 0.76 FNTA (0.34) ALDH1A1FNTAFNTBUBE2NPGGT1B
SCHEMBL7274290 0.76 FNTA (0.34) ALDH1A1FNTAFNTBUBE2NPGGT1B
SCHEMBL7273756 0.74 FNTA (0.33) FNTAFNTBUBE2NPGGT1BPPID

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-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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