SCHEMBL5784997

SCHEMBL5784997

C=CCC1N(C(=O)c2cncc(Br)c2)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
L3MBTL4 Q8NA19 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
EGFR P00533 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 2/20 0.31
TSHR P16473 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MMP14 P50281 1/20 0.31
HSD17B10 Q99714 1/20 0.30
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
SCHEMBL5599622 0.84 MAPK1 (0.37) GNRHRSMN1; SMN2MAPK1KCNH2MAPT
SCHEMBL5780470 0.84 MAPK1 (0.37) GNRHRSMN1; SMN2MAPK1KCNH2MAPT
SCHEMBL5599768 0.83 GNRHR (0.36) GNRHRKCNH2DPP4
SCHEMBL5780824 0.83 GNRHR (0.37) GNRHRKCNH2DPP4
SCHEMBL5599105 0.81 CHRNB2 (0.34) GNRHRKCNH2DPP4
SCHEMBL5786885 0.81 GNRHR (0.33) GNRHRKCNH2DPP4
SCHEMBL5785441 0.81 POLB (0.32) GNRHRALDH1A1HPGDKCNH2DPP4
SCHEMBL5788788 0.81 ALDH1A1 (0.38) GNRHRL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL5599184 0.81 POLB (0.32) GNRHRALDH1A1HPGDKCNH2DPP4
SCHEMBL5783676 0.81 ALDH1A1 (0.46) GNRHRALDH1A1HTTSMN1; SMN2MAPK1

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