SCHEMBL7098239

SCHEMBL7098239

Cc1c[nH]c2cc(C(=O)c3cc(NCC(=O)N4CCC(CN5CCCCC5)CC4)c4ccccc4n3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 7/20 0.38
THRB P10828 1/20 0.37
BRD4 O60885 2/20 0.36
ACP1 P24666 4/20 0.36
LMNA P02545 3/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7092571 0.91 F10 (0.42) F10MAPTACP1
SCHEMBL7139465 0.83 MAPT (0.40) F10GAAMAPTTHRBLMNA
SCHEMBL7093086 0.82 F10 (0.40) F10GAAMAPTTHRBLMNA
SCHEMBL7092545 0.80 MAPT (0.42) F10GAAMAPTTHRBLMNA
Hydrochloric Acid SCHEMBL6420510 0.74 F10 (0.43) F10GAAMAPTTHRBLMNA
SCHEMBL6423165 0.74 F10 (0.37) F10GAAMAPTTHRBBRD4
SCHEMBL7092923 0.74 F10 (0.41) F10GAAMAPTTHRBLMNA
SCHEMBL6424181 0.73 F10 (0.39) F10GAAMAPTTHRBLMNA
SCHEMBL6421346 0.71 MAPT (0.40) F10GAAMAPTTHRBLMNA
SCHEMBL7092866 0.70 ACHE (0.42) F10GAAMAPTTHRBLMNA

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