SCHEMBL7092571

SCHEMBL7092571

O=C(c1ccc2c(Cl)c[nH]c2c1)c1cc(NCC(=O)N2CCC(CN3CCCCC3)CC2)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.42
MAPT P10636 3/20 0.37
ACP1 P24666 4/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
SCD O00767 1/20 0.35
CCR2 P41597 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL7098239 0.91 F10 (0.42) F10MAPTACP1
SCHEMBL7092923 0.83 F10 (0.41) F10MAPTTP53
SCHEMBL6984625 0.81 F10 (0.38) F10PLATKLKB1
SCHEMBL6983309 0.78 ACP1 (0.42) F10ACP1
SCHEMBL7097521 0.75 F10 (0.42) F10PLATKLKB1
Hydrochloric Acid SCHEMBL6421213 0.74 F10 (0.42) F10MAPTPLATKLKB1TP53
SCHEMBL6419853 0.74 F10 (0.37) F10MAPTPLATKLKB1
SCHEMBL7139465 0.74 MAPT (0.40) F10MAPTTP53
SCHEMBL7093086 0.73 F10 (0.40) F10MAPT
SCHEMBL6421409 0.73 F10 (0.39) F10MAPTPLATKLKB1CCR2

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-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed