SCHEMBL30424409

SCHEMBL30424409

Nc1nc(N2CCC3(CCCC(=O)N3c3ccc(F)c(F)c3)CC2)c(F)c(N2CCC(O)(C(F)(F)F)CC2)n1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
PDK2 Q15119 1/20 0.31
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
RORC P51449 1/20 0.31
SCN9A Q15858 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
SCHEMBL24253936 1.00 PIK3CA (0.31) PIK3CAMTORPDK2HTR1ADRD2
SCHEMBL24253808 0.84 DPP4 (0.32) PIK3CAMTORPDK2HTR1ADRD2
SCHEMBL30424172 0.82 F10 (0.32)
SCHEMBL24253541 0.82 F10 (0.32)
SCHEMBL24253620 0.80 MLYCD (0.32) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL30006991 0.79 KDM4E (0.32) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL24253946 0.79 KDM4E (0.32) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL24253737 0.78 HCRTR1 (0.33) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL24253889 0.78 HRH4 (0.32) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL30006004 0.78 HRH4 (0.32) HTR1ADRD2ADRA1DADRA1AADRA1B

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 4 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-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