SCHEMBL13985302

SCHEMBL13985302

Bc1ccc(-n2c(=O)cc(C)nc2[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SPR P35270 3/20 0.31
AVPR1A P37288 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
DRD1 P21728 2/20 0.30
DRD5 P21918 2/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
CRHR1 P34998 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
SCHEMBL4755592 0.91 DRD1 (0.37) DRD1DRD5
SCHEMBL4755594 0.91 DRD1 (0.37) DRD1DRD5
SCHEMBL4755659 0.89 MEN1 (0.39) HCAR1
SCHEMBL4755656 0.89 MEN1 (0.39) HCAR1
SCHEMBL4755166 0.88 AVPR1A (0.39) AVPR1ADRD1DRD5CRHR1
SCHEMBL4755169 0.88 AVPR1A (0.39) AVPR1ADRD1DRD5CRHR1
SCHEMBL4755547 0.88 MAPT (0.34) TSHRSPRAVPR1AHCAR1
SCHEMBL4755551 0.88 MAPT (0.34) TSHRSPRAVPR1AHCAR1
SCHEMBL4755213 0.88 DRD1 (0.40) TSHRHCAR1DRD1DRD5NR1H2
SCHEMBL4755215 0.88 DRD1 (0.40) TSHRHCAR1DRD1DRD5NR1H2

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