SCHEMBL30006991

SCHEMBL30006991

Nc1nc(N2CCC3(CCCC(=O)N3c3ccc(F)c(F)c3)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
TPH1 P17752 2/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KCNH2 Q12809 1/20 0.32
LTC4S Q16873 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL24253946 1.00 KDM4E (0.32) KDM4ETPH1DRD2DRD3HTR1A
SCHEMBL30006004 0.93 HRH4 (0.32) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253737 0.93 HCRTR1 (0.33) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253889 0.93 HRH4 (0.32) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253746 0.91 TPH1 (0.32) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253952 0.89 MAPT (0.34) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL30423245 0.87 MAPT (0.40) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253552 0.87 MAPT (0.40) TPH1DRD2HTR1AADRA1DADRA1A
SCHEMBL24253948 0.86 HCRTR1 (0.34) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL24253953 0.86 FFAR4 (0.34) DRD2DRD3HTR1AADRA1DADRA1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP claimed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN claimed
EP-4323062-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H Novartis AG (CH) 2024-02-21 EP disclosed
CN-117015537-A Heteroaryl aminopropanol derivatives as inhibitors of LTA4H 诺华股份有限公司 2023-11-07 CN disclosed
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP disclosed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN disclosed
WO-2022219546-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2022-10-20 WO disclosed