SCHEMBL2775294

SCHEMBL2775294

CC(C)[C@H](NC(=O)O)C(=O)N1CCC([S+]([O-])c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.53
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
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
SCHEMBL2774278 0.81 CCR1 (0.51) CCR1KMT2ALMNATSHRKCNH2
SCHEMBL2774188 0.79 CCR1 (0.57) CCR1KMT2ALMNATSHRKCNH2
SCHEMBL2777758 0.78 CCR1 (0.59) CCR1KMT2ALMNATSHR
SCHEMBL2780495 0.77 CCR1 (0.55) CCR1KMT2ALMNATSHRKCNH2
SCHEMBL2773596 0.77 CCR1 (0.55) CCR1KMT2ALMNATSHRKCNH2
SCHEMBL2775803 0.77 CCR1 (0.55) CCR1KMT2ALMNATSHRKCNH2
SCHEMBL6522437 0.77 DPP4 (0.37) CCR1KMT2AKCNH2
SCHEMBL2777112 0.74 CCR1 (0.52) CCR1KMT2ALMNATSHRKCNH2
SCHEMBL2776919 0.73 CCR1 (0.48) CCR1KMT2ALMNATSHRKCNH2
SCHEMBL2774895 0.72 KMT2A (0.53) CCR1KMT2ALMNATSHRKCNH2

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