SCHEMBL2775650

SCHEMBL2775650

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2ncc(-c3ccccn3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.45
KCNH2 Q12809 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43
EPHX2 P34913 1/20 0.43
HMOX1 P09601 1/20 0.43
KMT2A Q03164 1/20 0.40
USP30 Q70CQ3 1/20 0.40
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39

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
SCHEMBL2779821 0.90 CCR1 (0.47) CCR1KCNH2TSHREPHX2HMOX1
SCHEMBL2777506 0.86 ALDH1A1 (0.44) CCR1KCNH2TSHRLMNAEPHX2
SCHEMBL2776101 0.85 CCR1 (0.43) CCR1KCNH2TSHRLMNAEPHX2
Hydrochloric Acid SCHEMBL6518828 0.83 DPP4 (0.47) LMNAEPHX2HMOX1USP30DPP4
SCHEMBL2775696 0.83 EPHX2 (0.53) CCR1KCNH2TSHRLMNAEPHX2
SCHEMBL2778165 0.82 CCR1 (0.48) CCR1KCNH2TSHRLMNAHMOX1
SCHEMBL2777053 0.82 CCR1 (0.48) CCR1KCNH2
SCHEMBL2776334 0.82 HMOX1 (0.53) CCR1KCNH2LMNAHMOX1KMT2A
SCHEMBL2776929 0.80 LMNA (0.48) CCR1KCNH2LMNAHMOX1KMT2A
SCHEMBL6522911 0.80 DPP4 (0.41) LMNAEPHX2HMOX1USP30DPP4

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