SCHEMBL7983703

SCHEMBL7983703

Nc1c([N+](=O)[O-])cc(Br)c2c1CCN(Cc1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
SERPINE1 P05121 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP19A1 P11511 1/20 0.42
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TACR1 P25103 2/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
FAAH O00519 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TEAD1 P28347 2/20 0.38
CLPP Q16740 1/20 0.37

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
SCHEMBL7983931 0.89 DRD4 (0.43) KDM4EALDH1A1ADORA1CYP19A1MAPK1
SCHEMBL7987036 0.86 KDM4E (0.50) BRS3KDM4EALDH1A1GAALMNA
SCHEMBL7981495 0.85 MEN1 (0.46) KDM4EALDH1A1GAALMNAADORA1
SCHEMBL7983949 0.85 DRD4 (0.43) KDM4EALDH1A1ADORA1CYP19A1MAPK1
SCHEMBL7980894 0.85 GAA (0.45) KDM4EALDH1A1GAALMNAMAPK1
SCHEMBL9091690 0.81 CYP19A1 (0.39) ALDH1A1CYP19A1MAPK1DRD2KCNH2
SCHEMBL7970219 0.81 MEN1 (0.46) KDM4EALDH1A1GAALMNAADORA1
SCHEMBL7984338 0.77 SIGMAR1 (0.45) BRS3KDM4EALDH1A1GAADRD2
SCHEMBL7981751 0.76 SIGMAR1 (0.51) SIGMAR1
SCHEMBL6790350 0.75 GRIA1 (0.51) KDM4EALDH1A1GAALMNA

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
US-6197771-B1 NERVOUS SYSTEM DISORDERS; ANTIISCHEMIC AGENTS; ALZHEIMER'SDISEASE; PARKINSON'S DISEASE; HUNTINGTON'S DISEASE WARNER-LAMBERT COMPANY 2001-03-06 US 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