SCHEMBL7291102

SCHEMBL7291102

CCn1ccc(=O)c2ccc(C)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.41
NR3C1 P04150 2/20 0.41
NR3C2 P08235 2/20 0.41
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
HTT P42858 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CD74 P04233 1/20 0.34
MIF P14174 1/20 0.34
NPC1 O15118 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
SCHEMBL7292525 0.86 PGR (0.42) PGRNR3C1NR3C2HTR2AHTR2C
SCHEMBL10375756 0.83 KCNA3 (0.44) MAPTKDM4E
SCHEMBL2608958 0.82 HTR2A (0.48) PGRNR3C1NR3C2HTR2AHTR2C
SCHEMBL18705804 0.78 SLC22A12 (0.46) KDM4E
SCHEMBL5022143 0.77 KDM4E (0.41) PGRTP53MAPTRORARORC
SCHEMBL29650348 0.77 NR3C1 (0.50) PGRNR3C1NR3C2MAPTSMN1; SMN2
SCHEMBL2851614 0.77 NR3C1 (0.50) PGRNR3C1NR3C2MAPTSMN1; SMN2
SCHEMBL9541540 0.76 HTR2A (0.37) HTR2AHTR2CTP53
SCHEMBL10193356 0.74 HTR2C (0.62) HTR2AHTR2C
SCHEMBL10653836 0.74 SLC22A12 (0.45) KDM4ECYP2D6

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-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP claimed
EP-3464292-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2019-04-10 EP disclosed
WO-2017214002-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2017-12-14 WO disclosed
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP disclosed
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 US disclosed
EP-0343574-A1 4(1H)-quinolone derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed