SCHEMBL4753629

SCHEMBL4753629

Cc1nc2c(OCc3ccccc3)cc(N3CCCCC3=O)cc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MCHR1 Q99705 9/20 0.39
CACNA2D1 P54289 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 3/20 0.38
CYP3A4 P08684 1/20 0.38
P2RX7 Q99572 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 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
SCHEMBL4754938 0.97 FFAR1 (0.43) BRD9FFAR1FFAR4MCHR1MEN1
SCHEMBL4753246 0.93 HRH3 (0.40) MCHR1MEN1KMT2ACYP3A4HRH3
SCHEMBL4753849 0.75 BRD9 (0.47) BRD9MEN1KMT2AMAPK1KDM4E
SCHEMBL4662895 0.74 MEN1 (0.46) MEN1KMT2AMAPK1MAPTL3MBTL1
SCHEMBL13983210 0.73 CYP3A4 (0.48) BRD9FFAR1FFAR4MEN1KMT2A
SCHEMBL5901519 0.73 KMT2A (0.45) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL5901760 0.73 RHEB (0.49) FFAR4MEN1KMT2AMAPK1MAPT
SCHEMBL5901935 0.73 HPGD (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13097167 0.73 GRM5 (0.54) FFAR1FFAR4MCHR1CACNA2D1ALDH1A1
SCHEMBL5901336 0.72 PPIA (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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