SCHEMBL7276202

SCHEMBL7276202

O=C[C@@H]1CCCN1C(=O)C1CCCC1C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL7272882 1.00 HRH3 (0.48) HRH3POLBMEN1KMT2AALDH1A1
SCHEMBL7286910 0.89 PKM (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7274839 0.89 PKM (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7265280 0.89 F2 (0.53) HRH3POLBALDH1A1F2
SCHEMBL8633510 0.89 F2 (0.53) HRH3POLBALDH1A1F2
SCHEMBL7265335 0.80 P2RX7 (0.50) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1804892 0.77 LMNA (0.55) HRH3POLBMEN1KMT2AALDH1A1
SCHEMBL1237539 0.77 LMNA (0.55) HRH3POLBMEN1KMT2AALDH1A1
SCHEMBL7266824 0.76 ALDH1A1 (0.58) MEN1KMT2AALDH1A1CASP1HSD17B10
SCHEMBL7282828 0.73 F2 (0.56) POLBMEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268190-B1 PROLINAL DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP claimed