SCHEMBL31590318

SCHEMBL31590318

O=C(c1ccc2ccc(=O)[nH]c2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.61
MGLL Q99685 2/20 0.61
PRKAB2 O43741 5/20 0.58
PRKAG1 P54619 5/20 0.58
PRKAA2 P54646 5/20 0.58
PRKAA1 Q13131 5/20 0.58
PRKAG3 Q9UGI9 5/20 0.58
PRKAG2 Q9UGJ0 5/20 0.58
PRKAB1 Q9Y478 5/20 0.58
MAPK14 Q16539 2/20 0.54
NPC1 O15118 1/20 0.51
ADRB2 P07550 1/20 0.51
GPR183 P32249 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 1/20 0.49
STAT3 P40763 1/20 0.49
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL31590261 0.86 MGLL (0.55) SIGMAR1MGLLPRKAA2MAPK14STAT3
Hydrochloric Acid SCHEMBL11041741 0.80 MAPK14 (0.57) MGLLMAPK14NPC1GPR183L3MBTL1
SCHEMBL11045581 0.79 MAPK14 (0.72) SIGMAR1MAPK14NPC1L3MBTL1USP2
Hydrochloric Acid SCHEMBL11042390 0.79 MAPK14 (0.56) MAPK14NPC1L3MBTL1USP2ALDH1A1
SCHEMBL19970807 0.79 ACACB (0.62) SIGMAR1MGLLPRKAB2PRKAG1PRKAA2
SCHEMBL29232665 0.78 SIGMAR1 (0.60) SIGMAR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17092756 0.78 SIGMAR1 (0.60) SIGMAR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL31589945 0.78 MGLL (0.63) MGLLALDH1A1
Hydrochloric Acid SCHEMBL11042987 0.77 MAPK14 (0.69) SIGMAR1MAPK14NPC1L3MBTL1USP2
SCHEMBL17115891 0.77 GPR183 (0.81) SIGMAR1PRKAB2PRKAG1PRKAA2PRKAA1

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
CN-120040416-A Piperazine amide skeleton compound and application thereof 中国药科大学 2025-05-27 CN disclosed