SCHEMBL7980579

SCHEMBL7980579

Nc1cc(Br)c2c(c1N)CCN(CCCc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.47
PNMT P11086 1/20 0.45
GRIN2B Q13224 1/20 0.44
HTR5A P47898 1/20 0.44

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
SCHEMBL7988064 0.95 SIGMAR1 (0.47) SIGMAR1PNMTGRIN2BHTR5A
SCHEMBL7980176 0.93 GAA (0.47) SIGMAR1
SCHEMBL7980695 0.88 GAA (0.47) SIGMAR1
SCHEMBL7980429 0.85 KMT2A (0.51) PNMT
SCHEMBL7981751 0.84 SIGMAR1 (0.51) SIGMAR1PNMT
SCHEMBL7984183 0.80 SIGMAR1 (0.51) SIGMAR1PNMT
SCHEMBL7981491 0.80 KMT2A (0.51) PNMT
SCHEMBL6790181 0.78 PNMT (0.40) PNMT
SCHEMBL7984338 0.77 SIGMAR1 (0.45) SIGMAR1
SCHEMBL7970103 0.75 MEN1 (0.50) SIGMAR1PNMT

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