SCHEMBL4753777

SCHEMBL4753777

COCCc1cc(=O)n(-c2ccc(Cl)cc2)c([C@H]2CC[C@@H](C(F)(F)F)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.35
AVPR1A P37288 1/20 0.35
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
LMNA P02545 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PSD A5PKW4 1/20 0.32
BRD4 O60885 1/20 0.32
AOC2 O75106 1/20 0.31
TACR1 P25103 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4753779 1.00 MCHR1 (0.35) MCHR1AVPR1ADRD1DRD5LMNA
SCHEMBL13985528 0.90 MCHR1 (0.38) MCHR1AVPR1ADRD1DRD5LMNA
SCHEMBL13985415 0.87 AVPR1A (0.36) MCHR1AVPR1ADRD1DRD5LMNA
SCHEMBL4755639 0.86 AVPR1A (0.38) MCHR1AVPR1ADRD1DRD5LMNA
SCHEMBL4755635 0.86 AVPR1A (0.38) MCHR1AVPR1ADRD1DRD5LMNA
SCHEMBL4755622 0.85 AVPR1A (0.37) MCHR1AVPR1ADRD1DRD5LMNA
SCHEMBL4755627 0.85 AVPR1A (0.37) MCHR1AVPR1ADRD1DRD5LMNA
SCHEMBL4755166 0.81 AVPR1A (0.39) MCHR1AVPR1ADRD1DRD5LMNA
SCHEMBL4755169 0.81 AVPR1A (0.39) MCHR1AVPR1ADRD1DRD5LMNA
SCHEMBL13985427 0.80 AVPR1A (0.34) MCHR1AVPR1ADRD1DRD5AOC2

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