SCHEMBL7157651

SCHEMBL7157651

O=C(O)CN1CCN(CC(=O)O)CCN(CC(O)COc2ccc([N+](=O)[O-])cc2)CCN(CC(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
MAPT P10636 2/20 0.66
ALDH1A1 P00352 1/20 0.66
HTT P42858 1/20 0.66
DRD4 P21917 1/20 0.64
LMNA P02545 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.53
GLA P06280 1/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.52
NPC1 O15118 1/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 1/20 0.51
ACHE P22303 1/20 0.51
ABCB1 P08183 1/20 0.50

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
SCHEMBL10983422 0.85 ATM (0.74) TDP1MAPTALDH1A1HTTDRD4
SCHEMBL8541852 0.84 MAPT (0.61) MAPTALDH1A1L3MBTL1KDM4EGLA
SCHEMBL8482810 0.83 L3MBTL1 (0.78) MAPTALDH1A1HTTDRD4L3MBTL1
SCHEMBL11743418 0.83 ATM (0.66) TDP1MAPTALDH1A1HTTDRD4
SCHEMBL8541877 0.83 KDM4E (0.69) MAPTDRD4L3MBTL1KDM4EGLA
SCHEMBL7159605 0.83 MAPT (0.60) MAPTALDH1A1L3MBTL1KDM4EGLA
SCHEMBL8539736 0.83 KCNH2 (0.70) MAPTALDH1A1DRD4LMNAL3MBTL1
SCHEMBL7882866 0.83 MAPT (0.67) MAPTALDH1A1L3MBTL1KDM4EGLA
SCHEMBL11740885 0.82 ATM (0.68) TDP1MAPTALDH1A1HTTDRD4
SCHEMBL11740527 0.82 ATM (0.68) TDP1MAPTALDH1A1HTTDRD4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768898-B1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AG (DE) 2003-04-09 EP disclosed
US-6248306-B1 MEDICAL DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-19 US disclosed
EP-0485045-B1 Mono-N-substituted 1,4,7,10-Tetraazacyclododecan-derivatives, process for their preparation and pharmaceutical agent containing them SCHERING AG (DE) 1998-12-30 EP disclosed
EP-0768898-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-23 EP disclosed
WO-1996001655-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-25 WO disclosed
US-5277895-A Nuclear magnetic resonance SCHERING AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
EP-0485045-A2 Mono-N-substituted 1,4,7,10-Tetraazacyclododecan-derivatives, process for their preparation and pharmaceutical agent containing them SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-13 EP disclosed