SCHEMBL7092923

SCHEMBL7092923

O=C(c1ccc2c(Cl)c[nH]c2c1)c1cc(NCC(=O)N2CCC(CN3CCCCC3)CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.41
MAPT P10636 5/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.37
BTK Q06187 1/20 0.36
GAA P10253 1/20 0.35
THRB P10828 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
SCHEMBL7139465 0.91 MAPT (0.40) F10MAPTTP53LMNAGAA
SCHEMBL7092571 0.83 F10 (0.42) F10MAPTTP53
SCHEMBL6420415 0.75 F10 (0.41) F10MAPTTP53LMNA
SCHEMBL6419853 0.74 F10 (0.37) F10MAPT
SCHEMBL7097521 0.74 F10 (0.42) F10
SCHEMBL7098239 0.74 F10 (0.42) F10MAPTLMNAGAATHRB
Hydrochloric Acid SCHEMBL6421213 0.72 F10 (0.42) F10MAPTTP53LMNA
SCHEMBL6421147 0.72 F10 (0.41) F10MAPTTP53LMNA
SCHEMBL6421802 0.72 PKM (0.38) F10MAPTLMNA
SCHEMBL7093086 0.70 F10 (0.40) F10MAPTLMNAGAATHRB

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