SCHEMBL7092545

SCHEMBL7092545

COc1c(NCC(=O)N2CCC(CN3CCCCC3)CC2)cccc1C(=O)c1ccc2c(C)c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.38
F10 P00742 1/20 0.38
THRB P10828 2/20 0.38
ACHE P22303 1/20 0.36
HTR4 Q13639 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 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
SCHEMBL7098081 0.87 ACHE (0.41) MAPTGAAPOLBLMNATHRB
Hydrochloric Acid SCHEMBL7140810 0.87 ACHE (0.41) MAPTGAAPOLBLMNATHRB
Hydrochloric Acid SCHEMBL7144636 0.83 MAPT (0.44) MAPTGAAPOLBLMNATHRB
SCHEMBL7093086 0.81 F10 (0.40) MAPTGAALMNAF10THRB
SCHEMBL7098239 0.80 F10 (0.42) MAPTGAALMNAF10THRB
SCHEMBL7139465 0.79 MAPT (0.40) MAPTGAALMNAF10THRB
SCHEMBL6422645 0.73 SMN1; SMN2 (0.40) MAPTGAAPOLBLMNAF10
SCHEMBL7092571 0.71 F10 (0.42) MAPTF10
SCHEMBL6423206 0.71 MAPT (0.57) MAPTGAAPOLBLMNAACHE
Hydrochloric Acid SCHEMBL6420510 0.71 F10 (0.43) MAPTGAALMNAF10THRB

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