SCHEMBL6983386

SCHEMBL6983386

O=C(c1ccc2cc[nH]c2c1)c1cccnc1NCC(=O)N1CCC(Oc2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 18/20 0.49
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6977312 0.89 SCD (0.46) SCD
SCHEMBL6982506 0.86 SCD (0.47) SCD
SCHEMBL6982128 0.86 SCD (0.42) SCDMAPTL3MBTL1
Hydrochloric Acid SCHEMBL6985678 0.85 SCD (0.42) SCDMAPTL3MBTL1
SCHEMBL6988459 0.82 MAPK14 (0.41)
Hydrochloric Acid SCHEMBL6983385 0.82 SIGLEC9 (0.40) SCD
Hydrochloric Acid SCHEMBL6985436 0.80 SCD (0.38) SCDMAPTL3MBTL1
SCHEMBL6976928 0.77 SCD (0.54) SCD
SCHEMBL6983361 0.75 SCD (0.48) SCD
SCHEMBL6346836 0.75 KDM4E (0.42) MAPTL3MBTL1

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-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed