SCHEMBL5599673

SCHEMBL5599673

C=CC[C@H]1N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2C12CCNCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
MAPT P10636 4/20 0.39
PTBP1 P26599 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CRBN Q96SW2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5785402 0.83 GABRD (0.31) SMN1; SMN2
SCHEMBL5781243 0.78 CYP1A2 (0.36) LMNAKMT2A
SCHEMBL5787489 0.77 HSD11B1 (0.43) POLBRXFP1ALDH1A1KDM4EOPRM1
SCHEMBL5599757 0.74 SIGMAR1 (0.40) MAPTSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL5781810 0.73 GNRHR (0.35) ALDH1A1
SCHEMBL5599295 0.70 TSHR (0.47) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL5599323 0.70 HPGD (0.32)
SCHEMBL5578648 0.69 POLB (0.52) POLBMAPTPTBP1SMN1; SMN2NPSR1
SCHEMBL5788788 0.68 ALDH1A1 (0.38) POLBMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL5783676 0.68 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1KDM4EHTT

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 3 patents. 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
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