SCHEMBL7663258

SCHEMBL7663258

COC(=O)c1cc(C(=O)NCC(C)C)ccc1-c1ccccc1C#Cc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F3 P13726 12/20 0.45
F7 P08709 11/20 0.45
F2 P00734 9/20 0.45
F10 P00742 9/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
PLG P00747 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ACACB O00763 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KIT P10721 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL7688393 0.90 F7 (0.58) F3F7F2F10PRSS1
SCHEMBL7663122 0.83 F3 (0.50) F3F7F2F10PRSS1
SCHEMBL7655674 0.81 F7 (0.69) F3F7F2F10PRSS1
SCHEMBL6295760 0.80 F3 (0.43) F3F7F2F10PRSS1
SCHEMBL7656692 0.78 F7 (0.65) F3F7F2F10PRSS1
SCHEMBL7665736 0.76 F3 (0.51) F3F7F2F10PRSS1
SCHEMBL6300738 0.75 F3 (0.41) F3F7F2F10PRSS1
SCHEMBL7685838 0.73 F3 (0.51) F3F7F2F10PRSS1
SCHEMBL7685841 0.73 F3 (0.51) F3F7F2F10PRSS1
SCHEMBL18082334 0.73 KMT2A (0.75) KMT2AMEN1ACACBGAAHSD17B10

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-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed