SCHEMBL8317275

SCHEMBL8317275

CNC(=O)C1=CC(CF)(CF)Oc2ccc(Br)cc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
CYP2D6 P10635 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
USP2 O75604 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL8318784 0.84 NPSR1 (0.32) NPSR1KDM4EMAPT
SCHEMBL8313588 0.82 OPRD1 (0.40) MAPTCYP2D6OPRD1OPRK1
SCHEMBL8313504 0.81
SCHEMBL8315689 0.69 AHR (0.30)
SCHEMBL8312387 0.68 ALDH1A1 (0.37) MAPT
SCHEMBL8313695 0.67 KDM4E (0.34) KDM4EMAPT
SCHEMBL8313489 0.64 MAPT (0.34) NPSR1MAPT
SCHEMBL8794716 0.63 MAPT (0.38) KDM4EMAPT
SCHEMBL23362956 0.61 CA1 (0.43) NPSR1MAPT
SCHEMBL29804089 0.61 CA1 (0.43) NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed