SCHEMBL5785804

SCHEMBL5785804

C=CCC1N(C(=O)c2cccnc2SC)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
GNRHR P30968 1/20 0.32
GPR6 P46095 1/20 0.32

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
SCHEMBL5599502 0.88 GNRHR (0.32) GNRHR
SCHEMBL5600190 0.88 GNRHR (0.36) KMT2ALMNAGNRHR
SCHEMBL5780422 0.82 P2RX7 (0.36) ALDH1A1GNRHR
SCHEMBL5786887 0.82 GNRHR (0.41) GNRHR
SCHEMBL5786885 0.82 GNRHR (0.33) KMT2AMEN1KDM4EGNRHR
SCHEMBL5599977 0.78 GNRHR (0.34) GNRHR
SCHEMBL5788610 0.78 GNRHR (0.34) GNRHR
SCHEMBL5599124 0.78 GNRHR (0.34) GNRHR
SCHEMBL5784847 0.77 GNRHR (0.34) KMT2AMEN1KDM4ERAB9AHTT
SCHEMBL5599768 0.77 GNRHR (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed