SCHEMBL30006004

SCHEMBL30006004

CC(F)(F)c1cc(N2CCC3(CCCC(=O)N3c3ccc(F)c(F)c3)CC2)nc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.32
TPH1 P17752 2/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
KCNH2 Q12809 1/20 0.31
LTC4S Q16873 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24253889 1.00 HRH4 (0.32) HRH4TPH1FFAR1FFAR4HTR1A
SCHEMBL24253946 0.93 KDM4E (0.32) TPH1FFAR1FFAR4HTR1ADRD2
SCHEMBL30006991 0.93 KDM4E (0.32) TPH1FFAR1FFAR4HTR1ADRD2
SCHEMBL24253737 0.91 HCRTR1 (0.33) TPH1FFAR1FFAR4HTR1ADRD2
SCHEMBL24253746 0.89 TPH1 (0.32) TPH1HTR1ADRD2ADRA1DADRA1A
SCHEMBL30423245 0.85 MAPT (0.40) HRH4TPH1FFAR1FFAR4HTR1A
SCHEMBL24253552 0.85 MAPT (0.40) HRH4TPH1FFAR1FFAR4HTR1A
SCHEMBL24253732 0.84 USP2 (0.40) HRH4HTR1A
SCHEMBL24253760 0.83 TPH1 (0.41) TPH1
SCHEMBL24253761 0.83 TPH1 (0.41) TPH1

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