SCHEMBL753832

SCHEMBL753832

O=C(NC1C2CN(c3ccc4cc(F)ccc4n3)CC21)OCc1cc(C(=O)O)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
CYP3A4 P08684 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PDE10A Q9Y233 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PDE2A O00408 1/20 0.37
RAB9A P51151 6/20 0.35
NPC1 O15118 4/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL8512952 0.90 KMT2A (0.40) HDAC3HDAC2CYP3A4HDAC4HDAC1
SCHEMBL15654480 0.85 ENPP2 (0.39) PDE10AKMT2AMEN1ALDH1A1PDE2A
SCHEMBL3477140 0.78 HDAC3 (0.47) HDAC3HDAC2CYP3A4HDAC4HDAC1
SCHEMBL13259875 0.76 HRH3 (0.37) HDAC3HDAC2PDE10AKMT2AMEN1
SCHEMBL9994849 0.76 MEN1 (0.40) PDE10AKMT2AMEN1ALDH1A1PDE2A
SCHEMBL9993048 0.76 MEN1 (0.41) PDE10AKMT2AMEN1ALDH1A1RAB9A
SCHEMBL13259948 0.75 PDE2A (0.40) HDAC3HDAC2PDE10AKMT2AMEN1
SCHEMBL8512363 0.75 KMT2A (0.41) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL8512860 0.74 RAB9A (0.36) PDE10AKMT2AMEN1ALDH1A1PDE2A
SCHEMBL8512858 0.74 RAB9A (0.36) PDE10AKMT2AMEN1ALDH1A1PDE2A

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
EP-2429998-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2010130943-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed