SCHEMBL30494530

SCHEMBL30494530

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 15/20 0.36
HRH4 Q9H3N8 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
TPH2 Q8IWU9 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
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL24253642 1.00 TPH1 (0.36) TPH1HRH4FFAR1FFAR4TPH2
SCHEMBL30494553 0.93 TPH1 (0.37) TPH1HRH4FFAR1FFAR4TPH2
SCHEMBL24253748 0.93 TPH1 (0.37) TPH1HRH4FFAR1FFAR4TPH2
SCHEMBL30494551 0.89 TPH1 (0.36) TPH1HRH4FFAR1FFAR4TPH2
SCHEMBL24253852 0.87 TPH1 (0.37) TPH1HRH4FFAR1FFAR4TPH2
SCHEMBL30423886 0.87 TPH1 (0.37) TPH1HRH4FFAR1FFAR4TPH2
SCHEMBL24253649 0.86 TPH1 (0.35) TPH1TPH2
SCHEMBL24253760 0.84 TPH1 (0.41) TPH1TPH2
SCHEMBL24253761 0.84 TPH1 (0.41) TPH1TPH2
SCHEMBL24253553 0.84 TPH1 (0.41) TPH1TPH2

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 2 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
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP disclosed