SCHEMBL7277280

SCHEMBL7277280

CCCCOC(=O)NCC(C)CCC(O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HRH4 Q9H3N8 3/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.45
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CTSK P43235 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37

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
SCHEMBL7269860 0.82 PCSK9 (0.47) GAAMEN1KMT2ACYP1A2CYP2C19
SCHEMBL1526122 0.74 KCNA5 (0.50) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL7275282 0.74 KCNA5 (0.50) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL7545282 0.73 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL8203981 0.73 L3MBTL1 (0.46) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL8192518 0.73 L3MBTL1 (0.46) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL9773746 0.73 ACHE (0.44) SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7293012 0.72 KCNA5 (0.49) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL8986648 0.72 KCNA5 (0.49) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL7440314 0.72 HRH4 (0.46) SMN1; SMN2NPC1RAB9ALMNAHRH4

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-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 — — EP disclosed
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