SCHEMBL2780495

SCHEMBL2780495

CC(C)[C@@H](NC(=O)O)C(=O)N1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.55
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
NAMPT P43490 2/20 0.47
SRD5A1 P18405 1/20 0.46
EPHX2 P34913 2/20 0.45
HRH3 Q9Y5N1 2/20 0.44
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL2775803 1.00 CCR1 (0.55) CCR1KMT2ALMNATSHRNAMPT
SCHEMBL2777291 0.89 EPHX2 (0.53) CCR1KMT2ALMNANAMPTSRD5A1
SCHEMBL2775119 0.88 CCR1 (0.57) CCR1EPHX2KCNH2
SCHEMBL2776968 0.88 NAMPT (0.48) CCR1NAMPTSRD5A1EPHX2HRH3
SCHEMBL2775706 0.88 CCR1 (0.51) CCR1KMT2ALMNANAMPTHRH3
SCHEMBL2773428 0.88 EPHX2 (0.49) CCR1NAMPTSRD5A1EPHX2
Hydrochloric Acid SCHEMBL2776549 0.87 CCR1 (0.48) CCR1KMT2ALMNATSHRNAMPT
SCHEMBL2774368 0.86 EPHX2 (0.50) CCR1LMNANAMPTSRD5A1EPHX2
SCHEMBL2774053 0.85 HRH3 (0.55) NAMPTSRD5A1EPHX2HRH3
SCHEMBL2773036 0.85 SRD5A1 (0.46) CCR1KMT2ALMNANAMPTSRD5A1

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