SCHEMBL7791791

SCHEMBL7791791

Cc1nn(C)c2nc(C(C)C)c(/C=C/C=O)c(-c3ccc(F)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.40
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
S1PR2 O95136 1/20 0.35
ESR1 P03372 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
PDE4A P27815 1/20 0.35
ADRA1A P35348 1/20 0.35
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 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
SCHEMBL8021235 0.90 GCGR (0.42) GCGRKDM4EALDH1A1MAPTHPGD
SCHEMBL8949683 0.81 GCGR (0.53) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8949786 0.80 GCGR (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9736123 0.79 GCGR (0.37) GCGRALDH1A1SMN1; SMN2
SCHEMBL9736133 0.79 GCGR (0.37) GCGRALDH1A1SMN1; SMN2
SCHEMBL9728453 0.79 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9698248 0.79 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL7791767 0.79 HMGCR (0.63) ALDH1A1ESR1HMGCRCHRM1TBXA2R
SCHEMBL9734648 0.77 DPP4 (0.42) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9387195 0.77 DPP4 (0.42) GCGRESR1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535548-B1 Inhibitor of atherosclerotic intimal thickening NISSAN CHEMICAL IND LTD (JP) 2001-11-21 EP disclosed
US-6162798-A Inhibitor of atherosclerotic intimal thickening NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2000-12-19 US disclosed
EP-0339358-B1 Pyrazolopyridine type mevalonolactones NISSAN CHEMICAL IND LTD (JP) 1994-07-13 EP disclosed
EP-0535548-A1 Inhibitor of atherosclerotic intimal thickening NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-04-07 EP disclosed
US-5024999-A Anti-hyperlipidemia, anti-atherosclerosis agents NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-06-18 US disclosed
WO-1989010365-A1 PYRAZOLOPYRIDINE TYPE MEVALONOLACTONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-02 WO disclosed