SCHEMBL16860873

SCHEMBL16860873

NC(=O)N1c2ccccc2C2(CCNCC2)C1SC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.35
P2RY1 P47900 1/20 0.33
KDM1A O60341 1/20 0.33
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
NOTUM Q6P988 1/20 0.32
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16860797 0.79 P2RY1 (0.37) HRH1P2RY1KDM1ADPP9DPP7
SCHEMBL16861147 0.78 P2RY1 (0.33) HRH1P2RY1KDM1ADPP9DPP7
SCHEMBL16860896 0.75 KDM1A (0.37) HRH1KDM1ADPP9DPP7NOTUM
SCHEMBL16860861 0.74 NOTUM (0.36) HRH1KDM1ADPP9DPP7NOTUM
SCHEMBL2801668 0.68 NOTUM (0.40) HRH1P2RY1KDM1ADPP9DPP7
SCHEMBL5592359 0.65 CYP1A2 (0.40) NOTUMMAPK1NPSR1
SCHEMBL5782188 0.64 MEN1 (0.41) MAPK1
SCHEMBL14813581 0.61 KMT2A (0.36) HRH1KDM1ADPP9DPP7
SCHEMBL5779969 0.61 P2RX1 (0.44) NPSR1
SCHEMBL17256636 0.61 KDM1A (0.47) KDM1ANOTUMMAPK1

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-3087072-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES Zoetis Services LLC (US) 2016-11-02 EP claimed
WO-2015100232-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES ZOETIS SERVICES LLC (US) 2015-07-02 WO claimed
EP-3087072-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES Zoetis Services LLC (US) 2016-11-02 EP disclosed
WO-2015100232-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES ZOETIS SERVICES LLC (US) 2015-07-02 WO disclosed