SCHEMBL6985540

SCHEMBL6985540

O=C(c1ccc2cc[nH]c2c1)c1cccc(NCC(=O)N2CCN(CCc3cn[nH]c3)CC2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
GHSR Q92847 4/20 0.36
FAAH O00519 2/20 0.35
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
CDK1 P06493 2/20 0.33
KDR P35968 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SCD O00767 1/20 0.33
P2RX7 Q99572 1/20 0.33
LMNA P02545 1/20 0.33
ROCK2 O75116 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32

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
SCHEMBL6988687 0.89 LMNA (0.45) MAPK14GHSRFAAHP2RX7LMNA
SCHEMBL6986755 0.86 MAPK14 (0.39) MAPK14GHSRFAAHDRD2DRD3
SCHEMBL6984410 0.84 MAPK14 (0.39) MAPK14GHSRFAAHDRD2DRD3
SCHEMBL6987898 0.78 MAPK14 (0.38) MAPK14GHSRKDM4ESCD
SCHEMBL6986945 0.78 F10 (0.53) MAPK14GHSRKDM4EALDH1A1MAPT
SCHEMBL6982897 0.77 KDM4E (0.42) MAPK14GHSRKDM4ESCD
Hydrochloric Acid SCHEMBL6985167 0.77 F10 (0.53) MAPK14GHSRKDM4EALDH1A1MAPT
SCHEMBL6982128 0.76 SCD (0.42) MAPTSCD
Hydrochloric Acid SCHEMBL6985678 0.76 SCD (0.42) MAPTSCD
SCHEMBL6988459 0.74 MAPK14 (0.41) MAPK14GHSRFAAHKDM4EP2RX7

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