SCHEMBL5785441

SCHEMBL5785441

C=CC[C@H]1N(C(=O)c2ccc(Br)s2)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
GNRHR P30968 2/20 0.32
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KCNH2 Q12809 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
SCHEMBL5599184 1.00 POLB (0.32) POLBHPGDGNRHRDPP4ALDH1A1
SCHEMBL5599338 0.89 F10 (0.35) POLBHPGDGNRHRDPP4ALDH1A1
SCHEMBL5786885 0.82 GNRHR (0.33) GNRHRDPP4KCNH2
SCHEMBL5784847 0.81 GNRHR (0.34) GNRHRDPP4KCNH2
SCHEMBL5780824 0.81 GNRHR (0.37) GNRHRDPP4KCNH2
SCHEMBL5784997 0.81 GNRHR (0.32) HPGDGNRHRDPP4ALDH1A1KCNH2
SCHEMBL5786887 0.79 GNRHR (0.41) GNRHRKCNH2
SCHEMBL5599105 0.79 CHRNB2 (0.34) GNRHRDPP4KCNH2
SCHEMBL5599768 0.79 GNRHR (0.36) GNRHRDPP4KCNH2
SCHEMBL5780422 0.79 P2RX7 (0.36) HPGDGNRHRDPP4ALDH1A1KCNH2

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