SCHEMBL8688902

SCHEMBL8688902

CCOC(=O)C[C@H]1CN(CC(=O)OCC)CC[C@H]1N1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP14 P54578 7/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
PGR P06401 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
USP5 P45974 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
SCHEMBL8689371 0.89 POLB (0.39) USP14MAPTALDH1A1POLBMEN1
SCHEMBL8783523 0.88 POLB (0.40) USP14MAPTALDH1A1POLBPGR
Hydrochloric Acid SCHEMBL8687049 0.83 ALOX15 (0.52)
Hydrochloric Acid SCHEMBL8686726 0.83 ALOX15 (0.52)
SCHEMBL8783617 0.83 POLB (0.46) USP14POLBCTSSCTSKUSP5
Hydrochloric Acid SCHEMBL8443194 0.79 ALOX15 (0.42) ALDH1A1POLBMAPK1HPGD
SCHEMBL7345216 0.77 AR (0.41) USP14POLBMEN1CTSSCTSK
SCHEMBL8686539 0.77 CHRM4 (0.39) POLBMEN1CTSSCTSKCHRM4
SCHEMBL7753345 0.76 USP14 (0.52) USP14MAPTALDH1A1MEN1KMT2A
SCHEMBL8783527 0.76 PANK3 (0.37) USP14MAPTALDH1A1POLBMEN1

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-5773442-A EXHIBIT GPIIB/IIIA RECEPTOR ANTAGONISTIC ACTIVITY; USEFUL FOR THE TREATMENT AND PROPHYLAXIS OF VASCULAR SYSTEM DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0810215-A1 NOVEL BENZAMIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-03 EP disclosed