SCHEMBL13985298

SCHEMBL13985298

CC(C)(C)OC(=O)Nc1cc(=O)n(-c2ccc(Cl)cc2)c([C@H]2CC[C@@H](C(F)(F)F)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
BRD2 P25440 2/20 0.37
BRD3 Q15059 2/20 0.37
CREBBP Q92793 2/20 0.37
DGAT1 O75907 1/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 3/20 0.36
USP30 Q70CQ3 1/20 0.35
USP14 P54578 1/20 0.34
TGFBR1 P36897 1/20 0.34
P2RX3 P56373 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RORC P51449 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
SCHEMBL4755137 0.83 AVPR1A (0.37) CNR2CNR1MEN1KMT2AMAPT
SCHEMBL4755132 0.83 AVPR1A (0.37) CNR2CNR1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4822247 0.83 AVPR1A (0.37) CNR2CNR1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4822238 0.83 AVPR1A (0.37) CNR2CNR1MEN1KMT2AMAPT
SCHEMBL13985487 0.82 OPRM1 (0.36) BRD4BRD2BRD3CREBBPDGAT1
SCHEMBL4755166 0.78 AVPR1A (0.39) KMT2AKDM4EHPGDHSD17B10LMNA
SCHEMBL4755169 0.78 AVPR1A (0.39) KMT2AKDM4EHPGDHSD17B10LMNA
SCHEMBL4755075 0.78 AVPR1A (0.37) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL4755083 0.78 AVPR1A (0.37) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL4755639 0.76 AVPR1A (0.38) MEN1KMT2AMAPTKDM4ELMNA

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed