SCHEMBL5599323

SCHEMBL5599323

C=CC[C@H]1N(C(=O)c2cc([N+](=O)[O-])[nH]n2)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
GNRHR P30968 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
SCHEMBL5784831 0.80 KMT2A (0.42) GNRHR
SCHEMBL5786885 0.79 GNRHR (0.33) GNRHR
SCHEMBL5599768 0.78 GNRHR (0.36) GNRHR
SCHEMBL5780824 0.77 GNRHR (0.37) GNRHR
SCHEMBL5599105 0.76 CHRNB2 (0.34) GNRHR
SCHEMBL5786887 0.76 GNRHR (0.41) GNRHR
SCHEMBL5780422 0.76 P2RX7 (0.36) HPGDGNRHR
SCHEMBL5599977 0.76 GNRHR (0.34) GNRHR
SCHEMBL5788610 0.76 GNRHR (0.34) GNRHR
SCHEMBL5599502 0.76 GNRHR (0.32) GNRHR

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