SCHEMBL8087458

SCHEMBL8087458

CC1CCCCN1Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.45

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
SCHEMBL8564783 0.86 GRIN1 (0.50) GRIN1
SCHEMBL8628294 0.85 GRIN1 (0.47) GRIN1
Bromide SCHEMBL6651052 0.85 GRIN1 (0.49) GRIN1
SCHEMBL27486120 0.85 GRIN1 (0.44) GRIN1
Bromide SCHEMBL8090239 0.84
Hydrochloric Acid SCHEMBL8090272 0.84 GRIN2D (0.44) GRIN1
SCHEMBL8627518 0.83 GRIN1 (0.42) GRIN1
Hydrochloric Acid SCHEMBL8092095 0.83 GRIN1 (0.43) GRIN1
SCHEMBL8563964 0.82 GRIN1 (0.44) GRIN1
SCHEMBL8565598 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed