SCHEMBL22916015

SCHEMBL22916015

Cc1ccc(C(=O)N2CCc3[nH]cnc3C2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
NAMPT P43490 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.46
TSHR P16473 3/20 0.45
HTR2C P28335 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GPR183 P32249 1/20 0.41
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL22915970 0.87 POLB (0.55) POLBNAMPTALDH1A1HPGDKDM4E
SCHEMBL22915969 0.85 HPGD (0.51) POLBNAMPTHPGDKDM4EHTR2C
SCHEMBL24062103 0.84 HPGD (0.51) POLBNAMPTHPGDKDM4ETSHR
SCHEMBL22915968 0.83 MAPK1 (0.60) POLBNAMPTALDH1A1HPGDTP53
SCHEMBL22915886 0.83 NAMPT (0.51) POLBNAMPTALDH1A1HPGDKDM4E
SCHEMBL24062095 0.82 NAMPT (0.47) POLBNAMPTALDH1A1HPGDKDM4E
SCHEMBL22915948 0.82 NAMPT (0.60) NAMPTKDM4E
SCHEMBL22915890 0.82 KDM4E (0.47) NAMPTHPGDKDM4EHTR2C
SCHEMBL22915934 0.81 HPGD (0.51) POLBNAMPTALDH1A1HPGDGPR183
SCHEMBL22915936 0.81 HPGD (0.53) NAMPTALDH1A1HPGDTP53KDM4E

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-3548613-B1 BACTERIAL GLUTAMINYL CYCLASE INHIBITORS AND USE THEREOF IN THE TREATMENT OF PERIODONTITIS FRAUNHOFER GES FORSCHUNG (DE) 2021-01-27 EP disclosed