SCHEMBL13725967

SCHEMBL13725967

O=C(Nc1ccc(N2CCCCC2=O)cc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.53
CCR1 P32246 8/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RHOC P08134 1/20 0.49
RHOA P61586 1/20 0.49

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
SCHEMBL78056 0.90 RHOC (0.57) F10POLBRHOCRHOA
SCHEMBL76266 0.90 RHOC (0.57) F10POLBRHOCRHOA
SCHEMBL76265 0.90 RHOC (0.57) F10POLBRHOCRHOA
SCHEMBL76292 0.88 F10 (0.61) F10CCR1L3MBTL1TSHRCYP2C9
SCHEMBL76293 0.88 F10 (0.61) F10CCR1L3MBTL1TSHRCYP2C9
SCHEMBL77021 0.87 ALDH1A1 (0.56) F10POLBRHOCRHOA
SCHEMBL77020 0.87 ALDH1A1 (0.56) F10POLBRHOCRHOA
SCHEMBL76890 0.86 F10 (0.57) F10CCR1TSHRLMNAPOLB
SCHEMBL76889 0.86 F10 (0.57) F10CCR1TSHRLMNAPOLB
SCHEMBL76925 0.86 F10 (0.57) F10CCR1TSHRLMNAPOLB

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-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 EP disclosed