SCHEMBL8617039

SCHEMBL8617039

O=C(O)C(CCc1ccncc1)C1CCCNC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 3/20 0.37
MMP13 P45452 2/20 0.36
MMP12 P39900 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL7338709 0.70 CYP19A1 (0.48) HSD17B10CYP19A1MMP13GAARAB9A
SCHEMBL7338035 0.70 CYP19A1 (0.48) HSD17B10CYP19A1MMP13GAARAB9A
SCHEMBL27496396 0.68 MMP12 (0.51) CYP19A1MMP13MMP12RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7204871 0.65 ERAP2 (0.51) MMP13MMP12RAB9ASMN1; SMN2ANPEP
Hydrochloric Acid SCHEMBL27556867 0.65 ERAP2 (0.51) MMP13MMP12RAB9ASMN1; SMN2ANPEP
SCHEMBL30222646 0.65 TSHR (0.38) KDM4EL3MBTL1
SCHEMBL2353606 0.64 GRM8 (0.51) HSD17B10MMP13MMP12ANPEPERAP2
SCHEMBL1129871 0.64 MMP12 (0.47) MMP13MMP12RAB9ASMN1; SMN2ANPEP
SCHEMBL1457765 0.64 GRM8 (0.51) HSD17B10MMP13MMP12ANPEPERAP2
SCHEMBL2353607 0.64 GRM8 (0.51) HSD17B10MMP13MMP12ANPEPERAP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed