SCHEMBL7704396

SCHEMBL7704396

N#Cc1cccc(C(=O)CC(=O)Nc2cc(-c3ccccc3F)c(COC3CCCCO3)cc2NC(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.34
EP300 Q09472 1/20 0.34
CD274 Q9NZQ7 4/20 0.34
RORC P51449 5/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PDCD1 Q15116 3/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.32
GRM5 P41594 2/20 0.32

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
SCHEMBL7139819 0.92 SIRT2 (0.35) CREBBPEP300CD274RORC
SCHEMBL7700560 0.79 CREBBP (0.37) CREBBPEP300CD274KMT2AMEN1
SCHEMBL7704530 0.76 DHODH (0.37) CD274KMT2AMEN1PDCD1GRM5
SCHEMBL7700574 0.76 ALDH1A1 (0.38) CREBBPEP300KMT2AMEN1
SCHEMBL7703803 0.74 HTT (0.39) KMT2AMEN1GRM5
SCHEMBL6622928 0.73 HSD11B1 (0.33) CREBBPEP300
SCHEMBL7145960 0.70 EGLN2 (0.36) CD274RORCKMT2AMEN1PDCD1
SCHEMBL7139979 0.70 ALDH1A1 (0.40) KMT2AMEN1GRM5
SCHEMBL7141267 0.70 HDAC3 (0.37) CREBBPEP300CD274
SCHEMBL6626793 0.69 EP300 (0.33) CREBBPEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed