SCHEMBL6340987

SCHEMBL6340987

COC(=O)C1=Cc2cc(-c3ccc(N4CCOCC4)cc3)ccc2N(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.44
PIK3CA P42336 6/20 0.39
MTOR P42345 3/20 0.39
CSNK2A1 P68400 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PRKDC P78527 1/20 0.36
TGFBR1 P36897 1/20 0.36
AOC3 Q16853 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL6338749 0.91 MRGPRX4 (0.39) PIK3CAMTORMRGPRX4KMT2AMEN1
SCHEMBL6339471 0.88 SMN1; SMN2 (0.42) PIK3CAMTORMRGPRX4KMT2AMEN1
SCHEMBL6341522 0.84 MAPT (0.38) KMT2AMEN1AOC3NPC1MAPT
SCHEMBL6343620 0.82 GPR119 (0.42) GPR119KMT2AMEN1HDAC1HDAC6
SCHEMBL6340485 0.81 MRGPRX4 (0.38) PIK3CAMTORMRGPRX4KMT2AMEN1
SCHEMBL6342867 0.81 NR1H2 (0.38) GPR119HDAC1HDAC6MAPTSMN1; SMN2
SCHEMBL6339599 0.80 TP53 (0.41) PIK3CAMTORMRGPRX4KMT2AMEN1
SCHEMBL6340953 0.80 HDAC1 (0.38) GPR119KMT2AMEN1HDAC1HDAC6
SCHEMBL6341447 0.79 USP30 (0.41) KMT2AMEN1HDAC1HDAC6SMN1; SMN2
SCHEMBL6338733 0.79 NR1H2 (0.36) GPR119HDAC1HDAC6MAPT

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
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP disclosed