SCHEMBL4751694

SCHEMBL4751694

CC1Cn2c(cc3ccccc32)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
MAPKAPK2 P49137 3/20 0.51
RPS6KA3 P51812 3/20 0.51
BRD4 O60885 5/20 0.42
CREBBP Q92793 5/20 0.42
RPS6KA2 Q15349 2/20 0.39
ALOX5 P09917 1/20 0.38
TSHR P16473 1/20 0.37
PER2 O15055 2/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL2978783 0.81 HRH3 (0.55) HRH3MAPKAPK2RPS6KA3RPS6KA2
SCHEMBL2986390 0.81 HRH3 (0.55) HRH3MAPKAPK2RPS6KA3RPS6KA2
SCHEMBL2978787 0.81 HRH3 (0.55) HRH3MAPKAPK2RPS6KA3RPS6KA2
SCHEMBL30954513 0.77 MAPKAPK2 (0.47) HRH3MAPKAPK2RPS6KA3RPS6KA2ALOX5
SCHEMBL30954512 0.77 MAPKAPK2 (0.47) HRH3MAPKAPK2RPS6KA3RPS6KA2ALOX5
SCHEMBL5318576 0.77 RPS6KA3 (0.41) HRH3MAPKAPK2RPS6KA3RPS6KA2
SCHEMBL2971178 0.77 HRH3 (0.56) HRH3CREBBPALOX5KMT2A
SCHEMBL2971184 0.77 HRH3 (0.56) HRH3CREBBPALOX5KMT2A
SCHEMBL2973948 0.77 HRH3 (0.56) HRH3CREBBPALOX5KMT2A
SCHEMBL7396812 0.76 RPS6KA3 (0.43) HRH3RPS6KA3RPS6KA2KMT2AHTR2A

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-1960401-A1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007065820-A1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed