SCHEMBL2779239

SCHEMBL2779239

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2ncc(Br)cn2)C(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.42
CCR1 P32246 16/20 0.41
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
KMT2A Q03164 2/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2776334 0.84 HMOX1 (0.53) HMOX1CCR1ABL1BCRKMT2A
Hydrochloric Acid SCHEMBL2775583 0.82 HMOX1 (0.42) HMOX1CCR1
SCHEMBL2775185 0.82 CCR1 (0.41) HMOX1CCR1KMT2AKCNH2
SCHEMBL6526701 0.79 HMOX1 (0.40) HMOX1CCR1
SCHEMBL2775086 0.75 GPR119 (0.42) HMOX1
SCHEMBL2777053 0.74 CCR1 (0.48) CCR1KCNH2
SCHEMBL2778165 0.74 CCR1 (0.48) HMOX1CCR1KMT2AKCNH2
SCHEMBL2779821 0.72 CCR1 (0.47) HMOX1CCR1KMT2AKCNH2
SCHEMBL2776929 0.72 LMNA (0.48) HMOX1CCR1KMT2AKCNH2
SCHEMBL2776253 0.71 LIPE (0.45) HMOX1CCR1KCNH2

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