SCHEMBL12419

SCHEMBL12419

Cc1cccc(C(=O)N2CCCC(CO)C2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RHOA P61586 1/20 0.55
GRM3 Q14832 3/20 0.54
EPHX2 P34913 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
PROKR1 Q8TCW9 1/20 0.50
HSD11B1 P28845 1/20 0.49
MGLL Q99685 1/20 0.49

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
SCHEMBL10723661 0.91 GRM3 (0.56) L3MBTL1GRM3EPHX2RAB9ANPC1
SCHEMBL10195743 0.86 HPGD (0.61) HPGDHTTL3MBTL1RHOAEPHX2
SCHEMBL12449544 0.84 GRM3 (0.51) HPGDL3MBTL1GRM3EPHX2RAB9A
SCHEMBL9633280 0.84 HPGD (0.64) HPGDHTTL3MBTL1EPHX2HSD11B1
SCHEMBL10194851 0.84 GRM3 (0.65) L3MBTL1GRM3EPHX2RAB9ANPC1
SCHEMBL12965 0.83 HPGD (0.67) HPGDHTTL3MBTL1RHOAGRM3
SCHEMBL8053380 0.83 HPGD (0.67) HPGDHTTL3MBTL1RHOAEPHX2
SCHEMBL10724293 0.82 GRM3 (0.68) HPGDL3MBTL1GRM3EPHX2RAB9A
SCHEMBL18082577 0.80 HPGD (0.62) HPGDHTTL3MBTL1RHOAEPHX2
SCHEMBL2667152 0.79 HPGD (0.90) HPGDHTTL3MBTL1EPHX2HSD11B1

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-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed