SCHEMBL6980751

SCHEMBL6980751

CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
F2 P00734 3/20 0.42
F10 P00742 3/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
NR3C1 P04150 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL6981593 0.90 LTB4R2 (0.52) NR3C1LTB4R2ALDH1A1MEN1KMT2A
SCHEMBL7962885 0.89 NR3C1 (0.41) NR3C1LTB4R2PARP1ALDH1A1MEN1
SCHEMBL6982684 0.89 KDM1A (0.43) NOTUMF2F10ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6984371 0.87 F2 (0.56) NOTUMF2F10ITGB3ITGA2B
SCHEMBL6986006 0.87 NR3C1 (0.46) NR3C1PARP1ALDH1A1MEN1KMT2A
SCHEMBL7958945 0.87 PDK1 (0.41) NOTUMF2F10ITGB3ITGA2B
SCHEMBL6980758 0.85 NOTUM (0.42) NOTUMLTB4R2ALDH1A1MEN1KMT2A
SCHEMBL6985998 0.84 NR3C1 (0.47) NR3C1PARP1ALDH1A1MEN1KMT2A
SCHEMBL7962882 0.84 NR3C1 (0.39) NR3C1LTB4R2PARP1ALDH1A1MEN1
SCHEMBL6985390 0.82 ALDH1A1 (0.40) NOTUMF2F10ITGB3ITGA2B

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
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed