SCHEMBL13985494

SCHEMBL13985494

CN(C(=O)OC(C)(C)C)c1nc([C@H]2CC[C@@H](C(F)(F)F)CC2)n(-c2ccc(Cl)cc2)c(=O)c1Br

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.34
DRD1 P21728 2/20 0.34
DRD5 P21918 2/20 0.34
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 4/20 0.31
P2RX3 P56373 1/20 0.31
LMNA P02545 3/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AVPR1A P37288 1/20 0.30

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
SCHEMBL13985493 0.90 CNR1 (0.35) MT-CO2DRD1DRD5CNR1CNR2
SCHEMBL13985487 0.82 OPRM1 (0.36) DRD1DRD5CNR1CNR2MEN1
SCHEMBL13985416 0.79 GPR119 (0.36)
SCHEMBL4753709 0.78 DRD1 (0.40) DRD1DRD5KMT2ASMN1; SMN2AVPR1A
SCHEMBL4753713 0.78 DRD1 (0.40) DRD1DRD5KMT2ASMN1; SMN2AVPR1A
SCHEMBL4911234 0.73 DRD1 (0.42) DRD1DRD5KMT2ASMN1; SMN2AVPR1A
SCHEMBL13985414 0.73 DGAT1 (0.33)
SCHEMBL13985298 0.73 BRD4 (0.37) CNR1CNR2MEN1KMT2ANPSR1
SCHEMBL4755753 0.72 DRD1 (0.41) DRD1DRD5KMT2ASMN1; SMN2AVPR1A
SCHEMBL4755752 0.72 DRD1 (0.41) DRD1DRD5KMT2ASMN1; SMN2AVPR1A

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