SCHEMBL7984338

SCHEMBL7984338

Nc1c([N+](=O)[O-])cc(Br)c2c1CCN(CCc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
DRD2 P14416 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
ABCB1 P08183 4/20 0.42
ABCG2 Q9UNQ0 4/20 0.42
CTSB P07858 1/20 0.40
POLB P06746 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
BRS3 P32247 1/20 0.39
KCNJ1 P48048 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
SCHEMBL7981914 0.96 SIGMAR1 (0.45) SIGMAR1GAAKDM4EMEN1ALDH1A1
SCHEMBL7981751 0.94 SIGMAR1 (0.51) SIGMAR1
SCHEMBL7984183 0.89 SIGMAR1 (0.51) SIGMAR1
SCHEMBL7981495 0.89 MEN1 (0.46) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL9091690 0.86 CYP19A1 (0.39) ALDH1A1MAPTDRD2HTR1AHTR2A
SCHEMBL7970219 0.84 MEN1 (0.46) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL7980176 0.83 GAA (0.47) SIGMAR1GAAKDM4EMEN1ALDH1A1
SCHEMBL6789476 0.82 MAPT (0.42) GAAALDH1A1MAPTCTSB
SCHEMBL6790350 0.80 GRIA1 (0.51) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL7980894 0.80 GAA (0.45) SIGMAR1GAAKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197771-B1 NERVOUS SYSTEM DISORDERS; ANTIISCHEMIC AGENTS; ALZHEIMER'SDISEASE; PARKINSON'S DISEASE; HUNTINGTON'S DISEASE WARNER-LAMBERT COMPANY 2001-03-06 US claimed
WO-1996028445-A1 NOVEL GLUTAMATE (AMPA/KAINATE) RECEPTOR ANTAGONISTS: N-SUBSTITUTED FUSED AZACYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-09-19 WO claimed
US-6197771-B1 NERVOUS SYSTEM DISORDERS; ANTIISCHEMIC AGENTS; ALZHEIMER'SDISEASE; PARKINSON'S DISEASE; HUNTINGTON'S DISEASE WARNER-LAMBERT COMPANY 2001-03-06 US disclosed
US-6057313-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-05-02 US disclosed
WO-1996028445-A1 NOVEL GLUTAMATE (AMPA/KAINATE) RECEPTOR ANTAGONISTS: N-SUBSTITUTED FUSED AZACYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-09-19 WO disclosed