SCHEMBL7362467

SCHEMBL7362467

N#Cc1cccc(N(CCCC(=O)O)CCc2ccc(N)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.53
FFAR4 Q5NUL3 2/20 0.49
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.38

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
SCHEMBL7359475 0.92 FFAR1 (0.56) FFAR1FFAR4GMNNALDH1A1LMNA
SCHEMBL7459672 0.87 FFAR1 (0.41) FFAR1FFAR4MEN1USP2KMT2A
SCHEMBL7357492 0.84 FFAR1 (0.47) FFAR1FFAR4MMP12MMP13MEN1
SCHEMBL7364863 0.81 F2 (0.50) GMNNALDH1A1LMNACYP2D6MAPT
SCHEMBL7362325 0.80 FFAR1 (0.42) FFAR1FFAR4MMP12MMP13MEN1
SCHEMBL7364865 0.79 SMN1; SMN2 (0.39) FFAR1FFAR4GMNNALDH1A1LMNA
SCHEMBL7462659 0.79 FFAR1 (0.44) FFAR1FFAR4ALDH1A1MAPTMEN1
SCHEMBL7464051 0.77 PDCD1 (0.42) FFAR1FFAR4MAPTKCNN4KCNA5
SCHEMBL7368439 0.75 PDCD1 (0.40) FFAR1FFAR4KCNN4KCNA5
SCHEMBL7360775 0.74 F2 (0.53)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed