SCHEMBL8229863

SCHEMBL8229863

O=C1CN(Cc2ccccc2)C(=O)CC(CC2C=CC=CC2)N1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
TACR2 P21452 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HDAC6 Q9UBN7 3/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
OPRK1 P41145 3/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
DPP4 P27487 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL877508 0.78 HDAC6 (0.48) EPHX2HPGDTSHRKMT2AALDH1A1
SCHEMBL876367 0.78 HDAC6 (0.48) EPHX2HPGDTSHRKMT2AALDH1A1
SCHEMBL13340053 0.78 HDAC6 (0.48) EPHX2HPGDTSHRKMT2AALDH1A1
SCHEMBL8576437 0.65 OPRK1 (0.54) EPHX2HPGDTSHRKMT2AALDH1A1
SCHEMBL8576433 0.65 OPRK1 (0.54) EPHX2HPGDTSHRKMT2AALDH1A1
SCHEMBL8111661 0.64 HDAC6 (0.47) EPHX2TSHRALDH1A1HDAC6HDAC1
SCHEMBL28142219 0.64 HDAC6 (0.61) EPHX2KMT2AMEN1HDAC6HDAC1
SCHEMBL12879107 0.64 HDAC6 (0.61) EPHX2KMT2AMEN1HDAC6HDAC1
SCHEMBL28424405 0.64 HDAC6 (0.61) EPHX2KMT2AMEN1HDAC6HDAC1
SCHEMBL8110968 0.64 HDAC6 (0.47) EPHX2ALDH1A1HDAC6HDAC1HDAC8

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-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed