SCHEMBL14463602

SCHEMBL14463602

Cc1cc(C)c(CNc2nc(=O)n(Cc3ccc4c(c3)CCO4)c(=O)n2Cc2ccc(OC(F)F)cc2)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 5/20 0.49
P2RX3 P56373 14/20 0.45

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
SCHEMBL12763942 0.93 PROKR1 (0.49) PROKR1P2RX3
SCHEMBL12158769 0.89 PROKR1 (0.43) PROKR1P2RX3
SCHEMBL17278166 0.87 PROKR1 (0.48) PROKR1P2RX3
SCHEMBL12763941 0.87 PROKR1 (0.47) PROKR1P2RX3
SCHEMBL10254919 0.87 PROKR1 (0.48) PROKR1P2RX3
SCHEMBL10254917 0.83 PROKR1 (0.44) PROKR1P2RX3
SCHEMBL10254892 0.82 P2RX3 (0.46) PROKR1P2RX3
SCHEMBL10254561 0.81 P2RX3 (0.46) PROKR1P2RX3
SCHEMBL14715688 0.81 PROKR1 (0.47) PROKR1P2RX3
SCHEMBL10254303 0.79 P2RX3 (0.46) PROKR1P2RX3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO disclosed