SCHEMBL6956039

SCHEMBL6956039

O=[N+]([O-])c1ccc2nc(SCc3ccc(C4CCNCC4OCc4ccc5ccccc5c4)cc3)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.54
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL7600823 0.99 REN (0.53) RENALDH1A1MAPTMEN1KMT2A
SCHEMBL6961059 0.88 REN (0.62) REN
SCHEMBL6041877 0.83 MAPT (0.47) RENALDH1A1MAPTMEN1KMT2A
SCHEMBL6041883 0.83 MAPT (0.47) RENALDH1A1MAPTMEN1KMT2A
SCHEMBL7077090 0.80 REN (0.60) REN
SCHEMBL7078121 0.80 MAPT (0.43) RENALDH1A1MAPTMEN1KMT2A
SCHEMBL6041954 0.79 REN (0.58) REN
SCHEMBL6041935 0.76 REN (0.68) REN
SCHEMBL7561042 0.74 REN (0.77) REN
SCHEMBL6960173 0.73 REN (0.83) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed