SCHEMBL2774895

SCHEMBL2774895

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 1/20 0.53
CCR1 P32246 8/20 0.50
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
CPS1 P31327 1/20 0.47
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPY2R P49146 1/20 0.42
HSD11B1 P28845 1/20 0.42
ATM Q13315 1/20 0.41
HTR1F P30939 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2775833 0.85 CCR1 (0.48) KMT2AMEN1CCR1LMNATSHR
SCHEMBL2777758 0.84 CCR1 (0.59) KMT2ACCR1LMNATSHRHSD11B1
Hydrochloric Acid SCHEMBL2775751 0.81 MEN1 (0.53) KMT2AMEN1CPS1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2775749 0.81 MEN1 (0.53) KMT2AMEN1CPS1ALDH1A1MAPT
SCHEMBL2777041 0.81 CCR1 (0.47) KMT2AMEN1CCR1LMNATSHR
SCHEMBL2774697 0.80 CCR1 (0.49) CCR1KCNH2
SCHEMBL22491555 0.78 MEN1 (0.59) KMT2AMEN1CPS1ALDH1A1MAPT
SCHEMBL2775585 0.77 MEN1 (0.49) KMT2AMEN1LMNACPS1ALDH1A1
SCHEMBL1838212 0.77 MEN1 (0.61) KMT2AMEN1CPS1ALDH1A1MAPT
SCHEMBL6522877 0.77 MEN1 (0.47) KMT2AMEN1CPS1ALDH1A1MAPT

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