SCHEMBL8719904

SCHEMBL8719904

N=C(N)c1cnc2oc(C(=O)NC3CCC(CCC(=O)O)CC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
KMT2A Q03164 1/20 0.41
F2 P00734 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
ST14 Q9Y5Y6 3/20 0.38
F10 P00742 1/20 0.38
CRHR1 P34998 1/20 0.37
HPGDS O60760 4/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8905194 1.00 ITGB3 (0.42) ITGB3ITGA2BRAB9ANPC1KMT2A
SCHEMBL8712746 0.87 RAB9A (0.42) ITGB3ITGA2BRAB9ANPC1KMT2A
SCHEMBL8904101 0.87 RAB9A (0.42) ITGB3ITGA2BRAB9ANPC1KMT2A
SCHEMBL8712449 0.84 RAB9A (0.41) ITGB3ITGA2BRAB9ANPC1KMT2A
SCHEMBL8903332 0.84 RAB9A (0.41) ITGB3ITGA2BRAB9ANPC1KMT2A
SCHEMBL8904690 0.84 ITGB3 (0.60) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8713279 0.84 ITGB3 (0.60) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8905109 0.78 HPGDS (0.41) RAB9ANPC1KMT2AF2PRSS1
SCHEMBL8712889 0.78 HPGDS (0.41) RAB9ANPC1KMT2AF2PRSS1
SCHEMBL8904170 0.74 ITGB3 (0.40) ITGB3ITGA2BF2PRSS1PRSS2

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
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed