SCHEMBL9701636

SCHEMBL9701636

CC(=O)O/N=C/[C@@H]1CCCN1C(=O)CCC(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9701641 1.00 LMNA (0.47) LMNAALDH1A1GAAKMT2AHRH3
SCHEMBL9702497 0.86 LMNA (0.52) LMNAALDH1A1GAAKMT2AHRH3
SCHEMBL9702502 0.86 LMNA (0.52) LMNAALDH1A1GAAKMT2AHRH3
SCHEMBL1237539 0.84 LMNA (0.55) LMNAALDH1A1GAAKMT2AHRH3
SCHEMBL1804892 0.84 LMNA (0.55) LMNAALDH1A1GAAKMT2AHRH3
SCHEMBL7265568 0.75 HPGD (0.52) LMNAALDH1A1KMT2ANPC1HPGD
SCHEMBL7289930 0.75 LMNA (0.55) LMNAALDH1A1KMT2AHRH3NPC1
SCHEMBL29416795 0.75 LMNA (0.55) LMNAHRH3NPC1RAB9APOLB
SCHEMBL7267256 0.75 HRH3 (0.53) LMNAALDH1A1GAAKMT2AHRH3
SCHEMBL7267106 0.74 TP53 (0.59) LMNAALDH1A1TP53POLB

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
US-5118811-A Treatment and prevention of dementia and amnesia JAPAN TOBACCO INC. (JP) 1992-06-02 US claimed
EP-0419683-A1 NEW AMINO ACID DERIVATIVES HAVING PROLYLENDOPEPTIDASE INHIBITOR ACTIVITY Japan Tobacco Inc. (JP) 1991-04-03 EP claimed
US-5118811-A Treatment and prevention of dementia and amnesia JAPAN TOBACCO INC. (JP) 1992-06-02 US disclosed