SCHEMBL7995776

SCHEMBL7995776

CC(C)(C)N(C(=O)O)[C@@H]1CCCCNC1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.48
PSEN1 P49768 8/20 0.40
PSEN2 P49810 8/20 0.40
APH1B Q8WW43 8/20 0.40
NCSTN Q92542 8/20 0.40
APH1A Q96BI3 8/20 0.40
PSENEN Q9NZ42 8/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CXCR4 P61073 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
SCHEMBL21066906 1.00 CCR2 (0.48) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL7135998 1.00 CCR2 (0.48) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL5959020 0.95 CCR2 (0.42) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL15855802 0.90 CCR2 (0.36) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL7247355 0.90 CCR2 (0.36) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2530439 0.80 L3MBTL1 (0.36) CCR2
SCHEMBL12494295 0.80 PSEN1 (0.44) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL27703589 0.77 CCR2 (0.41) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL27706673 0.77 CCR2 (0.41) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4188392 0.76 L3MBTL1 (0.44) CCR2PSEN1PSEN2APH1BNCSTN

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
US-6297233-B1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US disclosed