SCHEMBL17185074

SCHEMBL17185074

CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)CC1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
JAK1 P23458 2/20 0.47
BCHE P06276 2/20 0.46
KCNA3 P22001 1/20 0.46
MEN1 O00255 1/20 0.46
MAOB P27338 1/20 0.46
MCHR1 Q99705 1/20 0.45
UBE2M P61081 2/20 0.45
DCUN1D1 Q96GG9 2/20 0.45
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
SSTR1 P30872 1/20 0.44
SSTR4 P31391 1/20 0.44

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
SCHEMBL1467721 0.91 KMT2A (0.53) KMT2AL3MBTL1BCHEKCNA3MEN1
SCHEMBL1467723 0.91 KMT2A (0.53) KMT2AL3MBTL1BCHEKCNA3MEN1
SCHEMBL1467719 0.91 KMT2A (0.53) KMT2AL3MBTL1BCHEKCNA3MEN1
SCHEMBL19212166 0.90 KMT2A (0.53) KMT2AL3MBTL1JAK1BCHEKCNA3
SCHEMBL4372414 0.89 DRD2 (0.56) KMT2AL3MBTL1BCHEKCNA3MEN1
SCHEMBL4369305 0.89 DRD2 (0.56) KMT2AL3MBTL1BCHEKCNA3MEN1
SCHEMBL4372426 0.89 DRD2 (0.56) KMT2AL3MBTL1BCHEKCNA3MEN1
SCHEMBL4369301 0.89 DRD2 (0.56) KMT2AL3MBTL1BCHEKCNA3MEN1
SCHEMBL4369297 0.89 DRD2 (0.56) KMT2AL3MBTL1BCHEKCNA3MEN1
SCHEMBL2180789 0.88 UBE2M (0.55) KMT2AL3MBTL1BCHEKCNA3MEN1

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-2015161011-A1 BENZAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-22 WO disclosed