SCHEMBL30006852

SCHEMBL30006852

C[C@@H](Oc1cc(N2CCC3(CCOCN3c3ccc(F)c(F)c3)CC2)nc(N)n1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 19/20 0.38
TPH2 Q8IWU9 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL30006142 0.84 TPH1 (0.39) TPH1TPH2
SCHEMBL24253553 0.79 TPH1 (0.41) TPH1TPH2
SCHEMBL24253760 0.79 TPH1 (0.41) TPH1TPH2
SCHEMBL24253761 0.79 TPH1 (0.41) TPH1TPH2
SCHEMBL24253877 0.70 TPH1 (0.38) TPH1TPH2
SCHEMBL30494515 0.70 TPH1 (0.38) TPH1TPH2
SCHEMBL24253749 0.70 TPH1 (0.38) TPH1TPH2
SCHEMBL30423951 0.70 TPH1 (0.38) TPH1TPH2
SCHEMBL24253844 0.69 TPH1 (0.41) TPH1TPH2
SCHEMBL24253845 0.69 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-4323062-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H Novartis AG (CH) 2024-02-21 EP disclosed
WO-2022219546-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2022-10-20 WO disclosed