SCHEMBL6982128

SCHEMBL6982128

O=C(c1ccc2cc[nH]c2c1)c1cccc(NCC(=O)N2CCC(Oc3ccncc3)CC2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.42
EPHX2 P34913 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2J2 P51589 2/20 0.40
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.36

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
Hydrochloric Acid SCHEMBL6985678 0.99 SCD (0.42) SCDEPHX2CYP2C9CYP2J2MAPT
SCHEMBL6987898 0.88 MAPK14 (0.38) SCD
SCHEMBL6983386 0.86 SCD (0.49) SCDMAPTL3MBTL1
Hydrochloric Acid SCHEMBL6985436 0.85 SCD (0.38) SCDEPHX2CYP2C9CYP2J2MAPT
Hydrochloric Acid SCHEMBL6980263 0.84 MAPT (0.46) SCDEPHX2CYP2C9CYP2J2MAPT
SCHEMBL6988687 0.83 LMNA (0.45)
SCHEMBL6982897 0.82 KDM4E (0.42) SCD
SCHEMBL6986945 0.79 F10 (0.53) MAPTL3MBTL1
Hydrochloric Acid SCHEMBL6985167 0.79 F10 (0.53) MAPTL3MBTL1
SCHEMBL6985540 0.76 MAPK14 (0.40) SCDMAPT

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