SCHEMBL4123318

SCHEMBL4123318

Cc1cc(C)cc(CCNc2cc(N3CCNCC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.77
MAPT P10636 10/20 0.69
ALDH1A1 P00352 5/20 0.69
POLB P06746 2/20 0.63
NPSR1 Q6W5P4 1/20 0.62
HTT P42858 3/20 0.57
GAA P10253 2/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RECQL P46063 1/20 0.51

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
SCHEMBL2482386 0.87 HTR6 (1.00) HTR6MAPTALDH1A1POLBNPSR1
SCHEMBL3919058 0.87 HTR6 (0.73) HTR6MAPTALDH1A1POLBNPSR1
Hydrochloric Acid SCHEMBL5398700 0.86 HTR6 (0.71) HTR6MAPTALDH1A1POLBNPSR1
SCHEMBL2482705 0.83 HTR6 (0.70) HTR6MAPTALDH1A1POLBNPSR1
SCHEMBL5273517 0.82 HTR6 (0.79) HTR6MAPTALDH1A1POLBNPSR1
SCHEMBL3616361 0.82 MAPT (1.00) HTR6MAPTALDH1A1POLBNPSR1
SCHEMBL5271559 0.80 ALDH1A1 (0.58) HTR6MAPTALDH1A1HTTCYP1A2
SCHEMBL1844704 0.78 HTR6 (1.00) HTR6MAPTALDH1A1POLBNPSR1
SCHEMBL475881 0.77 SMN1; SMN2 (0.78) HTR6MAPTALDH1A1POLBNPSR1
SCHEMBL2482987 0.77 MAPT (1.00) HTR6MAPTALDH1A1POLBNPSR1

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-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP disclosed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 WO disclosed