SCHEMBL6986755

SCHEMBL6986755

O=C(c1ccc2cc[nH]c2c1)c1cccc(NCC(=O)N2CCN(CCc3c[nH]cn3)CC2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
THRB P10828 2/20 0.34
FAAH O00519 1/20 0.34
GHSR Q92847 5/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 3/20 0.32
TP53 P04637 1/20 0.32
CACNA1G O43497 1/20 0.32
KCNH2 Q12809 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL6984410 0.87 MAPK14 (0.39) MAPK14THRBFAAHGHSRKDM4E
SCHEMBL6988687 0.86 LMNA (0.45) MAPK14THRBFAAHGHSRPOLB
SCHEMBL6985540 0.86 MAPK14 (0.40) MAPK14FAAHGHSRKDM4EALDH1A1
SCHEMBL6987898 0.79 MAPK14 (0.38) MAPK14GHSRKDM4ESMN1; SMN2POLB
SCHEMBL6986945 0.78 F10 (0.53) MAPK14GHSRKDM4EALDH1A1MAPT
SCHEMBL6982897 0.78 KDM4E (0.42) MAPK14GHSRKDM4ESMN1; SMN2POLB
Hydrochloric Acid SCHEMBL6985167 0.78 F10 (0.53) MAPK14GHSRKDM4EALDH1A1MAPT
SCHEMBL6982128 0.75 SCD (0.42) MAPT
Hydrochloric Acid SCHEMBL6985678 0.75 SCD (0.42) MAPT
SCHEMBL4837049 0.74 MAPK14 (0.42) MAPK14THRBFAAHGHSRKDM4E

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-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed