SCHEMBL2776929

SCHEMBL2776929

CCc1cnc(OC2CCN(C(=O)[C@@H](NC(=O)O)C(C)C)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR1 P32246 13/20 0.40
KCNH2 Q12809 1/20 0.40
HMOX1 P09601 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
P2RY12 Q9H244 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
SCHEMBL2778165 0.87 CCR1 (0.48) LMNAKMT2ACCR1KCNH2HMOX1
SCHEMBL2777053 0.87 CCR1 (0.48) CCR1KCNH2
SCHEMBL2776334 0.87 HMOX1 (0.53) LMNAKMT2ACCR1KCNH2HMOX1
SCHEMBL2779821 0.85 CCR1 (0.47) KMT2ACCR1KCNH2HMOX1
SCHEMBL2776253 0.84 LIPE (0.45) CCR1KCNH2HMOX1
SCHEMBL2776114 0.83 ACACB (0.46) LMNAKMT2ACCR1KCNH2HMOX1
SCHEMBL2774403 0.82 KMT2A (0.43) LMNAKMT2ACCR1KCNH2HMOX1
Hydrochloric Acid SCHEMBL2774333 0.81 PIK3CD (0.44) HMOX1GPR119
SCHEMBL2777506 0.81 ALDH1A1 (0.44) LMNACCR1KCNH2HMOX1
SCHEMBL2775650 0.80 CCR1 (0.45) LMNAKMT2ACCR1KCNH2HMOX1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed