SCHEMBL8796972

SCHEMBL8796972

CC1(C)Oc2ccccc2C(=O)N1CCOc1ccc(CC2NC(=O)SC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
PPARG P37231 5/20 0.36
FFAR1 O14842 4/20 0.36
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4A O75164 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL8796971 0.83 PPARG (0.54) HRH3PPARGFFAR1HPGDALDH1A1
SCHEMBL8798517 0.83 PPARG (0.38) HRH3PPARGFFAR1HPGDNPSR1
SCHEMBL8797357 0.81 HRH3 (0.38) HRH3PPARGFFAR1HPGDNPSR1
SCHEMBL6953755 0.80 HRH3 (0.40) HRH3PPARGFFAR1HPGDNPSR1
SCHEMBL9143100 0.79 HPGD (0.54) HRH3PPARGFFAR1HPGDNPSR1
SCHEMBL8798105 0.77 HRH3 (0.44) HRH3PPARGFFAR1RAB9AMAPT
SCHEMBL8797320 0.77 MGAM (0.56) HRH3HPGD
SCHEMBL8797324 0.77 MGAM (0.56) HRH3HPGD
SCHEMBL8797185 0.76 KMT2A (0.36) HRH3PPARGFFAR1ALDH1A1KDM4A
SCHEMBL8797330 0.76 CSNK2A2 (0.46) HRH3HPGD

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
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed