SCHEMBL4038705

SCHEMBL4038705

NC(=O)Cc1ccc(CNCC[C@H](O)[CH]Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
NCOR2 Q9Y618 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
FOLH1 Q04609 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
SPHK2 Q9NRA0 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
SCHEMBL4043818 0.78 BCHE (0.41) SPHK2SPHK1
SCHEMBL4044417 0.73 RORC (0.42) HDAC8HDAC3HDAC1HDAC2NCOR2
SCHEMBL5219600 0.72 ANPEP (0.46) ALDH1A1MEN1KMT2ATDP1CYP2D6
SCHEMBL26127761 0.71 MEN1 (0.59) ALDH1A1MEN1KMT2ATDP1CYP2D6
SCHEMBL1073365 0.71 MEN1 (0.59) HDAC8HDAC3HDAC1HDAC2NCOR2
SCHEMBL2305794 0.71 MEN1 (0.59) ALDH1A1MEN1KMT2ATDP1CYP2D6
SCHEMBL8976099 0.71 DRD4 (0.65) HDAC8HDAC3HDAC1HDAC2KDM4E
SCHEMBL11129277 0.70 HDAC3 (0.63) HDAC8HDAC3HDAC1HDAC2NCOR2
Formic Acid SCHEMBL27437981 0.69 CES1 (0.54) HDAC8ALDH1A1MEN1KMT2AHDAC6
SCHEMBL25676 0.69 CES1 (0.64) HDAC8ALDH1A1MEN1KMT2AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 WO disclosed