SCHEMBL4754938

SCHEMBL4754938

Cc1nc2c(OCc3ccccc3)cc(N3CCCC3=O)cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.43
FFAR4 Q5NUL3 2/20 0.43
P2RX7 Q99572 1/20 0.40
MCHR1 Q99705 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 1/20 0.38
BRD9 Q9H8M2 1/20 0.38

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
SCHEMBL4753629 0.97 BRD9 (0.41) FFAR1FFAR4P2RX7MCHR1SMN1; SMN2
SCHEMBL4753246 0.94 HRH3 (0.40) MCHR1HRH3MEN1NPC1RAB9A
SCHEMBL4662895 0.75 MEN1 (0.46) SMN1; SMN2MAPK1HTTMEN1NPC1
SCHEMBL4755173 0.75 LMNA (0.45) SMN1; SMN2LMNAMAPK1TSHRMEN1
SCHEMBL3893136 0.74 CHRNA7 (0.51) P2RX7SMN1; SMN2LMNAMAPK1TSHR
SCHEMBL5901519 0.74 KMT2A (0.45) SMN1; SMN2MAPK1HTTMEN1NPC1
SCHEMBL5901760 0.74 RHEB (0.49) FFAR4SMN1; SMN2MAPK1HTTMEN1
SCHEMBL5901935 0.74 HPGD (0.51) SMN1; SMN2LMNAMEN1NPC1RAB9A
SCHEMBL13983521 0.74 SLC9A3 (0.34) FFAR1P2RX7SMN1; SMN2HTR1AHTR1D
SCHEMBL5901336 0.73 PPIA (0.47) SMN1; SMN2MEN1NPC1RAB9AKMT2A

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-2008151927-A2 6-N-SUBSTITUTED BENZ IMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS NYCOMED GMBH (DE) 2008-12-18 WO disclosed