SCHEMBL8711792

SCHEMBL8711792

O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
LMNA P02545 3/20 0.68
TNFSF11 O14788 2/20 0.64
TNF P01375 2/20 0.64
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.55
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRE P78334 1/20 0.55
GABRA6 Q16445 1/20 0.55

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
SCHEMBL1063370 0.85 MEN1 (0.66) HTTSMN1; SMN2ALDH1A1GRIN2BMEN1
SCHEMBL8575988 0.84 TNFSF11 (0.70) HTTSMN1; SMN2LMNATNFSF11TNF
SCHEMBL8707313 0.84 TPSAB1 (0.61) MAPTGRIN2BMEN1KMT2A
SCHEMBL8711840 0.84 MEN1 (0.63) ALDH1A1GRIN2BMEN1KMT2A
SCHEMBL8707900 0.84 MAPK14 (0.60) HTTGABRPGABRDGABRA1GABRB1
SCHEMBL8710480 0.83 GRIN2B (0.71) HTTGABRA1GABRG2GABRB3GABRA3
SCHEMBL2718531 0.81 HTT (0.80) HTTSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL8707640 0.81 MEN1 (0.65) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1063365 0.81 MEN1 (0.66) HTTSMN1; SMN2ALDH1A1GRIN2BMEN1
SCHEMBL4810027 0.79 GRIN2D (0.73) HTTSMN1; SMN2LMNAMAPTGRIN2B

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-1998028292-A1 NOVEL PIPERIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-02 WO disclosed