SCHEMBL3756774

SCHEMBL3756774

CCCC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.56
IGF1R P08069 1/20 0.55
SIRT6 Q8N6T7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR1A P08908 1/20 0.52
POLB P06746 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5741339 0.85 SIRT6 (0.62) MAPTALDH1A1HTTIGF1RSIRT6
SCHEMBL519813 0.82 IGF1R (0.65) MAPTALDH1A1HTTIGF1RSIRT6
SCHEMBL519461 0.82 IGF1R (0.65) MAPTALDH1A1HTTIGF1RSIRT6
SCHEMBL519460 0.82 IGF1R (0.65) MAPTALDH1A1HTTIGF1RSIRT6
SCHEMBL1045292 0.80 SIRT6 (0.69) MAPTALDH1A1SIRT6HTR1APOLB
SCHEMBL374222 0.80 SIRT6 (0.68) MAPTALDH1A1SIRT6POLBLMNA
SCHEMBL1046934 0.80 HTR1A (0.65) MAPTIGF1RSIRT6HTR1APOLB
SCHEMBL7768027 0.79 IGF1R (0.55) MAPTALDH1A1HTTIGF1RSIRT6
SCHEMBL6945690 0.78 SIRT6 (0.65) MAPTALDH1A1SIRT6HTR1APOLB
SCHEMBL15445827 0.77 MAPT (0.66) MAPTALDH1A1HTTTDP1LMNA

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-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 EP disclosed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 WO disclosed