SCHEMBL7703607

SCHEMBL7703607

O=C(O)Nc1cc(N2CCC(OCCO)CC2)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
ALDH1A1 P00352 4/20 0.40
LIPG Q9Y5X9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CSF1R P07333 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
GPR174 Q9BXC1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7140157 0.88 MAPT (0.37) MAPTALDH1A1LIPGKDM4ECSF1R
SCHEMBL7702872 0.85 MAPT (0.43) MAPTALDH1A1CSF1RTDP1MAPK1
SCHEMBL7704017 0.77 WDR5 (0.49) MAPTALDH1A1CSF1RMAPK1SMN1; SMN2
SCHEMBL7700599 0.76 HCAR3 (0.39) MAPTALDH1A1TDP1MAPK1TP53
SCHEMBL7147347 0.75 MAPT (0.36) MAPTALDH1A1CSF1RMAPK1GPR174
SCHEMBL7139736 0.74 MAPT (0.40) MAPTALDH1A1CSF1RTDP1MAPK1
SCHEMBL7139645 0.71 MAPT (0.43) MAPTALDH1A1KDM4ECSF1RTDP1
SCHEMBL7141821 0.69 MAPT (0.39) MAPTALDH1A1CSF1RTDP1MAPK1
SCHEMBL6611671 0.69 MAPT (0.59) MAPTALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL7146607 0.68 MAPT (0.44) MAPTALDH1A1CSF1RTDP1MAPK1

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-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed