SCHEMBL4755752

SCHEMBL4755752

Cc1nc([C@H]2CC[C@@H](C(F)(F)F)CC2)n(-c2ccc(Cl)cc2)c(=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.41
DRD5 P21918 5/20 0.41
AVPR1A P37288 2/20 0.37
GRM1 Q13255 2/20 0.36
POLB P06746 3/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH2 Q12809 1/20 0.34
GSR P00390 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL4755753 1.00 DRD1 (0.41) DRD1DRD5AVPR1AGRM1POLB
SCHEMBL4911234 0.92 DRD1 (0.42) DRD1DRD5AVPR1AGRM1POLB
SCHEMBL13985519 0.91 DRD1 (0.41) DRD1DRD5GRM1POLBKMT2A
SCHEMBL4755057 0.91 DRD1 (0.41) DRD1DRD5GRM1POLBKMT2A
SCHEMBL13985295 0.90 DRD1 (0.41) DRD1DRD5AVPR1AGRM1POLB
SCHEMBL13985425 0.90 DRD1 (0.41) DRD1DRD5AVPR1AGRM1POLB
SCHEMBL4756671 0.89 DRD1 (0.40) DRD1DRD5AVPR1AGRM1POLB
SCHEMBL4753709 0.89 DRD1 (0.40) DRD1DRD5AVPR1AGRM1POLB
SCHEMBL13985428 0.89 DRD1 (0.40) DRD1DRD5AVPR1AGRM1POLB
SCHEMBL4753713 0.89 DRD1 (0.40) DRD1DRD5AVPR1AGRM1POLB

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