SCHEMBL7697491

SCHEMBL7697491

CN(C)c1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TRPV1 Q8NER1 3/20 0.49
DGAT1 O75907 4/20 0.47
IKBKB O14920 3/20 0.44
MCHR1 Q99705 2/20 0.42

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
SCHEMBL7701281 0.92 MAPT (0.49) HDAC4MAPTRXFP1TRPV1DGAT1
SCHEMBL7702798 0.91 MAPT (0.50) HDAC4MAPTRXFP1DGAT1IKBKB
SCHEMBL7699301 0.89 MAPT (0.53) HDAC4MAPTRXFP1IKBKB
SCHEMBL7701100 0.85 DGAT1 (0.51) HDAC4MAPTRXFP1DGAT1
SCHEMBL7696235 0.84 KMT2A (0.46) HDAC4MAPTRXFP1TRPV1DGAT1
SCHEMBL7701545 0.83 KDM4E (0.48) MAPTTRPV1DGAT1IKBKB
SCHEMBL7695533 0.83 ADCY8 (0.47) HDAC4MAPTRXFP1DGAT1
SCHEMBL7693843 0.82 TRPV1 (0.47) HDAC4MAPTRXFP1TRPV1DGAT1
SCHEMBL7695161 0.82 IKBKB (0.50) HDAC4MAPTRXFP1DGAT1IKBKB
SCHEMBL7701056 0.82 MAPT (0.47) MAPTRXFP1DGAT1IKBKB

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
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed