SCHEMBL28023904

SCHEMBL28023904

Cc1cc(C)cc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
TSHR P16473 4/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SLC6A7 Q99884 1/20 0.50
SMO Q99835 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.47
PHGDH O43175 1/20 0.47

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
SCHEMBL6698026 0.85 NAMPT (0.64) NAMPTTSHRLMNAMAPK1USP2
SCHEMBL27550709 0.84 NAMPT (0.62) NAMPTTSHRLMNAMAPK1USP2
SCHEMBL6698019 0.81 NAMPT (0.62) NAMPTTSHRLMNAMAPK1USP2
SCHEMBL2320890 0.81 GRM5 (0.57) NAMPTTSHRMAPK1USP2SMN1; SMN2
SCHEMBL2760493 0.79 NAMPT (0.53) NAMPTTSHRLMNAMAPK1USP2
SCHEMBL13149183 0.79 SLC6A7 (0.77) TSHRLMNASMN1; SMN2KDM4ESLC6A7
SCHEMBL3634940 0.78 HPGD (0.60) NAMPTLMNAMAPK1USP2HTT
SCHEMBL14409648 0.78 KCNA5 (0.56) NAMPTTSHRLMNAMAPK1USP2
SCHEMBL13504090 0.78 MGLL (0.64) NAMPTUSP2HTTSMN1; SMN2SLC6A7
SCHEMBL2740504 0.77 SIGMAR1 (0.61) NAMPTUSP2SMN1; SMN2SLC6A7SMO

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-102971291-B Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2015-07-22 CN disclosed