SCHEMBL6986950

SCHEMBL6986950

CN1CCC(N2CCN(C(=O)CNc3ccc(C(=O)O)cc3C(=O)c3ccc4cc[nH]c4c3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.53
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 2/20 0.43
ENPP2 Q13822 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
MAPK14 Q16539 2/20 0.37
MAPK11 Q15759 1/20 0.37
F2 P00734 1/20 0.37
GHSR Q92847 3/20 0.37
CHRNA7 P36544 2/20 0.36
SMYD3 Q9H7B4 2/20 0.36
ALOX12 P18054 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR3A P46098 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
SCHEMBL6986945 0.85 F10 (0.53) F10KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6985167 0.85 F10 (0.53) F10KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6985018 0.83 F10 (0.49) F10KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6987729 0.80 F10 (0.49) F10KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6600677 0.75 F10 (0.53) F10KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4835817 0.75 F10 (0.53) F10KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3000428 0.72 F10 (0.58) F10KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4683374 0.72 F10 (0.53) F10KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4840239 0.72 F10 (0.57) F10KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4841878 0.72 F10 (0.57) F10KDM4EALDH1A1HPGDHSD17B10

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