SCHEMBL5631200

SCHEMBL5631200

O=C(N[C@@H]1C[C@@H](CO)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.73
F2 P00734 3/20 0.73
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
F11 P03951 1/20 0.48

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
SCHEMBL5426239 1.00 F10 (0.73) F10F2NPC1HPGDSMN1; SMN2
SCHEMBL5631628 0.97 F10 (0.78) F10F2
SCHEMBL5435744 0.97 F10 (0.78) F10F2
SCHEMBL5632158 0.96 F10 (0.76) F10F2NPC1HPGDSMN1; SMN2
SCHEMBL5437998 0.96 F10 (0.76) F10F2NPC1HPGDSMN1; SMN2
SCHEMBL5435807 0.87 F10 (0.65) F10F2F11
SCHEMBL5632167 0.87 F10 (0.65) F10F2F11
SCHEMBL5429333 0.86 F10 (0.64) F10F2F11
SCHEMBL5432495 0.86 F10 (0.64) F10F2
SCHEMBL5631569 0.86 F10 (0.64) F10F2

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-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US claimed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed