SCHEMBL4756481

SCHEMBL4756481

Cc1cc(=O)n(-c2ccc(Cl)cc2)c(C2CC3C(C2)C3(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.37
PTPN11 Q06124 1/20 0.37
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
DRD1 P21728 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
SCHEMBL13985522 1.00 CRHR1 (0.41) CRHR1SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL4756478 0.87 CHRNB2 (0.36) CRHR1POLB
SCHEMBL13985504 0.87 CHRNB2 (0.36) CRHR1POLB
SCHEMBL4753367 0.83 SMN1; SMN2 (0.40) CRHR1SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL4753362 0.83 SMN1; SMN2 (0.40) CRHR1SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL4753340 0.81 DRD1 (0.39) CRHR1SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL13985230 0.81 DRD1 (0.39) CRHR1SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL13985497 0.81 SMN1; SMN2 (0.40) CRHR1SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL13985419 0.79 PDE4B (0.34)
SCHEMBL4755166 0.79 AVPR1A (0.39) CRHR1SMN1; SMN2POLBALDH1A1KMT2A

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