SCHEMBL29137201

SCHEMBL29137201

C=Cc1ccc2c(n1)c(N1CCN(Cc3ccccc3)CC1)cc(=O)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 2/20 0.42
DRD2 P14416 2/20 0.41
HTR1A P08908 1/20 0.41
ALDH1A1 P00352 4/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TRPC5 Q9UL62 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL30616747 1.00 NCF1 (0.43) NCF1SIGMAR1HTTTSHRDRD2
SCHEMBL28550928 0.78 DGKA (0.45) SIGMAR1HTTTSHRALDH1A1NPSR1
SCHEMBL29137205 0.77 ALDH1A1 (0.49) NCF1HTTDRD2HTR1AALDH1A1
SCHEMBL29137279 0.76 DRD2 (0.43) NCF1TSHRDRD2HTR1AALDH1A1
SCHEMBL29137184 0.76 DRD2 (0.40) NCF1DRD2ALDH1A1DRD4LMNA
SCHEMBL30099606 0.76 NCF1 (0.55) NCF1SIGMAR1DRD2HTR1AALDH1A1
SCHEMBL28870573 0.76 NCF1 (0.55) NCF1SIGMAR1DRD2HTR1AALDH1A1
SCHEMBL29137283 0.75 DRD4 (0.38) NCF1SIGMAR1HTR1AALDH1A1DRD4
SCHEMBL30616673 0.75 SIGMAR1 (0.51) SIGMAR1TSHRDRD2HTR1AALDH1A1
SCHEMBL30616711 0.74 GRM2 (0.41) DRD2HTR1AALDH1A1DRD4MAPK1

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-112585139-B Naphthyridinone compounds as T cell activators 百时美施贵宝公司 2023-12-01 CN disclosed