SCHEMBL6979220

SCHEMBL6979220

COC(=O)c1ccc2nc(C(=O)C(CCCNC(=O)[C@@H]3CCCN3)NC(=N)N)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
HPN P05981 1/20 0.36
HGFAC Q04756 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL6976476 0.92 F2 (0.36) F2F10HPNHGFACST14
SCHEMBL6976548 0.91 MAOA (0.46) NPC1RAB9ASMN1; SMN2MAOAMAOB
SCHEMBL6976777 0.88 MAOB (0.43) MAOAMAOB
SCHEMBL6976622 0.88 SMYD3 (0.41) NPC1RAB9AF2F10HPN
SCHEMBL6976837 0.87 F2 (0.37) F2F10HPNHGFACST14
SCHEMBL6972556 0.86
SCHEMBL6975948 0.86 F2 (0.39) F2F10HPNHGFACST14
SCHEMBL27507310 0.84 NPC1 (0.36) NPC1RAB9AALDH1A1HSP90AA1F2
SCHEMBL7081704 0.80 F2 (0.45) F2F10HPNHGFACST14
SCHEMBL6979285 0.77 F2 (0.46) F2F10HPNHGFACST14

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-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP claimed