SCHEMBL7346169

SCHEMBL7346169

CC(C)COC(=O)CN1CCN(c2ccc(-c3ccc(C(=N)N)cc3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.43
RET P07949 6/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 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
SCHEMBL7353174 0.86 F2 (0.49) ITGB3ITGA2B
SCHEMBL7346164 0.84 UBE2T (0.44) UBE2TRETOPRM1OPRK1ITGB3
SCHEMBL7381654 0.82 UBE2T (0.51) UBE2TOPRM1OPRK1ITGB3ITGA2B
SCHEMBL9367305 0.74 HRH3 (0.43) HRH3ITGB3ITGA2BNPC1RAB9A
SCHEMBL7355673 0.73 SMN1; SMN2 (0.46) KMT2A
SCHEMBL7356492 0.73 F2 (0.52) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949253 0.71 NPC1 (0.45) ITGB3ITGA2BNPC1RAB9AKMT2A
SCHEMBL7352886 0.70 ITGB3 (0.49) ITGB3ITGA2BNPC1RAB9AKMT2A
SCHEMBL9371212 0.70 ITGB3 (0.50) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949247 0.69 KDM1A (0.44) ITGB3ITGA2B

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-0637304-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-02-08 EP disclosed
WO-1993022303-A1 1-PIPERAZINEACETIC DERIVATIVES AS FIBRINOGEN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-11-11 WO disclosed