SCHEMBL6421802

SCHEMBL6421802

O=C(CN(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1cccc2cccnc12)N1CCC(CN2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
F10 P00742 11/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
CCR3 P51677 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JUN P05412 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6420537 0.91 PKM (0.38) PKMPKLRF10ALDH1A1LMNA
SCHEMBL6421409 0.89 F10 (0.39) F10LMNAMAPTJUNCDK2
SCHEMBL6421147 0.87 F10 (0.41) F10LMNAMAPT
SCHEMBL6419853 0.85 F10 (0.37) F10CCR3MAPTJUNCDK2
SCHEMBL6420415 0.83 F10 (0.41) F10LMNAMAPTACHE
SCHEMBL6424232 0.83 MAPT (0.42) F10ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6421213 0.83 F10 (0.42) F10LMNAMAPTACHE
Hydrochloric Acid SCHEMBL4841910 0.82 F10 (0.39) F10ALDH1A1CCR3
SCHEMBL6421346 0.81 MAPT (0.40) F10KMT2ALMNAMAPT
SCHEMBL6424181 0.80 F10 (0.39) F10LMNAMAPT

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-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6784182-B2 AND FACTOR XA INHIBITORS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2004-08-31 US disclosed