SCHEMBL4569705

SCHEMBL4569705

CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cccn2-c2ncc(Cl)cc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
TP53 P04637 6/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.44
RORC P51449 1/20 0.43
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
UTS2R Q9UKP6 1/20 0.42
NAMPT P43490 2/20 0.41
TGFBR1 P36897 2/20 0.41
GNRHR P30968 1/20 0.41
IL1B P01584 1/20 0.41
P2RX7 Q99572 1/20 0.41
PIK3CD O00329 1/20 0.41

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
SCHEMBL13707722 0.95 KDM4E (0.48) KDM4EPKMTP53LMNAMEN1
SCHEMBL4569596 0.90 MEN1 (0.55) KDM4EPKMTP53LMNAMEN1
SCHEMBL4540327 0.81 CHRM1 (0.47) MEN1KMT2APPARGNR2E3NCOR2
SCHEMBL4569742 0.79 KMT2A (0.46) KDM4EMEN1KMT2AMAPTPPARG
SCHEMBL4565788 0.79 KMT2A (0.46) MEN1KMT2AMAPTPPARGNR2E3
SCHEMBL4542294 0.79 HTR4 (0.49) TP53LMNAMEN1KMT2AMAPT
SCHEMBL4569741 0.78 KMT2A (0.42) MEN1KMT2AMAPTPPARGNR2E3
SCHEMBL4543903 0.78 KMT2A (0.44) MEN1KMT2AMAPTPPARGNR2E3
SCHEMBL4565632 0.78 MEN1 (0.60) KDM4EPKMMEN1KMT2AMAPT
SCHEMBL13707643 0.77 MAPT (0.54) PKMLMNAMEN1KMT2AMAPT

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed