SCHEMBL6574089

SCHEMBL6574089

Cc1ccc(NC(=O)c2cccc(N3CCCCC3)c2)cc1-c1c(OC2CCN(C(=O)OC(C)(C)C)CC2)cccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
DDR1 Q08345 1/20 0.42
BRAF P15056 4/20 0.42
PARP14 Q460N5 1/20 0.40
TGFBR1 P36897 1/20 0.39
RAF1 P04049 2/20 0.39
KDM1A O60341 1/20 0.39
THRB P10828 1/20 0.39
PARP1 P09874 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL6570490 0.93 RAF1 (0.47) OPRK1BRAFRAF1
SCHEMBL6572676 0.89 RAF1 (0.46) OPRK1BRAFRAF1
SCHEMBL6572660 0.85 BRAF (0.48) BRAFRAF1
SCHEMBL6572665 0.84 RAF1 (0.49) CSF1RPDGFRBKITDDR1BRAF
SCHEMBL6574087 0.83 RAF1 (0.44) OPRK1BRAFRAF1
SCHEMBL6571705 0.81 OPRK1 (0.51) OPRK1BRAFRAF1
SCHEMBL6477163 0.80 OPRK1 (0.58) OPRK1GPR119CSF1RPDGFRBKIT
SCHEMBL6477601 0.80 OPRK1 (0.57) OPRK1GPR119CSF1RPDGFRBKIT
SCHEMBL6477326 0.75 MAPK14 (0.54) OPRK1THRB
SCHEMBL21391326 0.74 KIT (0.57) GPR119CSF1RPDGFRBKITDDR1

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
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed