SCHEMBL6986945

SCHEMBL6986945

CN1CCC(N2CCN(C(=O)CNc3cccc(C(=O)c4ccc5cc[nH]c5c4)c3Cl)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.53
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
F2 P00734 2/20 0.39
MAPK14 Q16539 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
KRAS P01116 1/20 0.37
HTR1F P30939 1/20 0.37
CCR3 P51677 2/20 0.36
OXTR P30559 1/20 0.36
GHSR Q92847 2/20 0.36
CHRM2 P08172 1/20 0.36
IGF1R P08069 1/20 0.35
CYP3A4 P08684 1/20 0.35

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 SCHEMBL6985167 0.99 F10 (0.53) F10KDM4EALDH1A1MAPTHPGD
SCHEMBL6985018 0.88 F10 (0.49) F10KDM4EALDH1A1MAPTHPGD
SCHEMBL6986950 0.85 F10 (0.53) F10KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6987729 0.83 F10 (0.49) F10KDM4EALDH1A1MAPTHPGD
SCHEMBL6986879 0.82 KMT2A (0.42) F10KDM4EALDH1A1MAPTF2
SCHEMBL6982897 0.82 KDM4E (0.42) F10KDM4EMAPK14GHSRSMYD3
Hydrochloric Acid SCHEMBL6494015 0.82 KMT2A (0.41) F10KDM4EALDH1A1MAPTF2
SCHEMBL6987898 0.81 MAPK14 (0.38) F10KDM4EMAPK14GHSRSMYD3
SCHEMBL6982128 0.79 SCD (0.42) MAPTL3MBTL1
SCHEMBL6988687 0.79 LMNA (0.45) MAPK14GHSR

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 4 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 claimed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO claimed
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