SCHEMBL2776334

SCHEMBL2776334

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2ncc(Br)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.53
CCR1 P32246 14/20 0.41
KCNH2 Q12809 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
LMNA P02545 1/20 0.38
ACACB O00763 1/20 0.38
KMT2A Q03164 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 0.89 CCR1 (0.48) HMOX1CCR1KCNH2LMNAKMT2A
SCHEMBL2777053 0.89 CCR1 (0.48) CCR1KCNH2
SCHEMBL2776929 0.87 LMNA (0.48) HMOX1CCR1KCNH2LMNAKMT2A
SCHEMBL2779821 0.87 CCR1 (0.47) HMOX1CCR1KCNH2KMT2A
SCHEMBL2776253 0.86 LIPE (0.45) HMOX1CCR1KCNH2
SCHEMBL2776114 0.85 ACACB (0.46) HMOX1CCR1KCNH2LMNAACACB
SCHEMBL2779239 0.84 HMOX1 (0.42) HMOX1CCR1KCNH2ABL1BCR
SCHEMBL2777506 0.83 ALDH1A1 (0.44) HMOX1CCR1KCNH2LMNA
SCHEMBL2775650 0.82 CCR1 (0.45) HMOX1CCR1KCNH2LMNAKMT2A
SCHEMBL2777567 0.81 HMOX1 (0.48) HMOX1CCR1KCNH2ABL1BCR

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