SCHEMBL5867238

SCHEMBL5867238

C#CC1(NC(=O)C(=O)Nc2ccc(C3=CCOC=C3C)c(OC)c2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 13/20 0.43
IMPDH1 P20839 8/20 0.38
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.34

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
SCHEMBL5867292 0.85 IMPDH2 (0.61) IMPDH2IMPDH1FAAHMAPT
SCHEMBL5867232 0.82 IMPDH2 (0.43) IMPDH2IMPDH1FAAH
SCHEMBL5867263 0.81 IMPDH2 (0.60) IMPDH2IMPDH1
SCHEMBL5867279 0.80 IMPDH2 (0.42) IMPDH2IMPDH1
SCHEMBL5867182 0.79 IMPDH2 (0.41) IMPDH2IMPDH1MAPT
SCHEMBL5867262 0.79 IMPDH2 (0.57) IMPDH2IMPDH1
SCHEMBL5867244 0.78 IMPDH2 (0.49) IMPDH2IMPDH1
SCHEMBL1473138 0.78 IMPDH2 (0.71) IMPDH2IMPDH1
SCHEMBL5867204 0.77 IMPDH2 (0.48) IMPDH2IMPDH1
SCHEMBL5867197 0.76 IMPDH2 (0.47) IMPDH2IMPDH1

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-7060720-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB CO. (US) 2006-06-13 US disclosed