SCHEMBL475714

SCHEMBL475714

COc1cc(OC)cc(C(C)(I)Nc2cc(N3CCNCC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.58
POLB P06746 2/20 0.58
ALDH1A1 P00352 7/20 0.55
HTT P42858 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
HTR6 P50406 8/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 3/20 0.46
ADRB1 P08588 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL475607 0.79 ADRB1 (0.44) CYP2C9HTR6ADRB1
SCHEMBL475389 0.78 SMN1; SMN2 (0.74) MAPTPOLBALDH1A1HTTCYP1A2
SCHEMBL3919058 0.77 HTR6 (0.73) MAPTPOLBALDH1A1HTTCYP1A2
Hydrochloric Acid SCHEMBL1748227 0.77 SMN1; SMN2 (0.73) MAPTPOLBALDH1A1HTTCYP1A2
Hydrochloric Acid SCHEMBL5398700 0.77 HTR6 (0.71) MAPTPOLBALDH1A1HTTCYP1A2
Tert-Butyl Formate SCHEMBL27915007 0.75 SMN1; SMN2 (0.64) MAPTPOLBALDH1A1HTTCYP1A2
SCHEMBL30267551 0.72 ALDH1A1 (0.77) MAPTPOLBALDH1A1HTTCYP1A2
SCHEMBL309940 0.72 ALDH1A1 (0.77) MAPTPOLBALDH1A1HTTCYP1A2
SCHEMBL3616361 0.72 MAPT (1.00) MAPTPOLBALDH1A1HTTCYP1A2
SCHEMBL11303513 0.70 MAPT (0.60) MAPTPOLBALDH1A1HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP disclosed
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