SCHEMBL7970099

SCHEMBL7970099

O=C(Cc1ccc(Cl)cc1)N1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.56
GRIA2 P42262 5/20 0.56
GRIA3 P42263 5/20 0.56
GRIA4 P48058 5/20 0.56
KDR P35968 1/20 0.41
RAB9A P51151 1/20 0.37
RECQL P46063 1/20 0.37
HSD11B1 P28845 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL7980231 0.90 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4RAB9A
SCHEMBL7983673 0.85 GRIA1 (0.59) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8476223 0.79 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4KDR
SCHEMBL8476595 0.78 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8478909 0.77 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7983843 0.77 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8477906 0.77 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7984623 0.75 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8472488 0.74 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4
Benzamide SCHEMBL8472482 0.73 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US claimed
US-6057313-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-05-02 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