SCHEMBL4692998

SCHEMBL4692998

CN(C)C(=O)C1CCC(C(N)=O)C(NC(=O)c2ccc(N3CCCCC3=O)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.52
F2 P00734 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 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
SCHEMBL5427145 0.86 F10 (0.39) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL4693954 0.83 F10 (0.63) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL4693401 0.83 RAB9A (0.62) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL5428982 0.83 NPC1 (0.52) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL4692038 0.82 RAB9A (0.64) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL4687850 0.82 F10 (0.62) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL4747753 0.80 F10 (0.38) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL5434205 0.80 NPC1 (0.63) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL4694872 0.80 RAB9A (0.67) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL4691023 0.79 F10 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed