SCHEMBL6206413

SCHEMBL6206413

CC(=O)Cl.CCN(CC)CCN(C(C)=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CCR5 P51681 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL1749339 0.97 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1749338 0.97 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1750106 0.89 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1750104 0.89 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1749240 0.82 GFER (0.40) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1749237 0.82 GFER (0.40) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4351231 0.81 MAPT (0.57) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL2636121 0.80 MCHR1 (0.45) CCR5MCHR1
SCHEMBL1749521 0.77 MCHR1 (0.54) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1748971 0.77 MCHR1 (0.54) MAPTALDH1A1MAPK1LMNASMN1; SMN2

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-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed