SCHEMBL5599502

SCHEMBL5599502

C=CC[C@H]1N(C(=O)c2cccnc2S)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.32
KCNH2 Q12809 1/20 0.31
DPP4 P27487 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
SCHEMBL5600190 0.91 GNRHR (0.36) GNRHRKCNH2
SCHEMBL5785804 0.88 KMT2A (0.36) GNRHR
SCHEMBL5780422 0.85 P2RX7 (0.36) GNRHRKCNH2DPP4
SCHEMBL5786887 0.85 GNRHR (0.41) GNRHRKCNH2
SCHEMBL5786885 0.85 GNRHR (0.33) GNRHRKCNH2DPP4
SCHEMBL5780824 0.81 GNRHR (0.37) GNRHRKCNH2DPP4
SCHEMBL5599124 0.81 GNRHR (0.34) GNRHRKCNH2DPP4
SCHEMBL5599977 0.81 GNRHR (0.34) GNRHRKCNH2DPP4
SCHEMBL5788610 0.81 GNRHR (0.34) GNRHRKCNH2DPP4
SCHEMBL5784847 0.80 GNRHR (0.34) GNRHRKCNH2DPP4

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-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed