SCHEMBL4755502

SCHEMBL4755502

Cc1nc2c(OC3CCOc4cc(F)ccc43)cc(N3CCCC3=O)cc2n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.34
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
CNR2 P34972 2/20 0.32
BRD9 Q9H8M2 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
AXL P30530 1/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
NTRK1 P04629 1/20 0.30
TP53 P04637 2/20 0.30
AKR1C3 P42330 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
HCRTR1 O43613 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4755416 0.98 BRD9 (0.35) FFAR1HTR1AHTR1DHTR1BCNR2
SCHEMBL13983542 0.95 JAK2 (0.31) JAK2JAK3NTRK1
SCHEMBL13983521 0.89 SLC9A3 (0.34) FFAR1HTR1AHTR1DHTR1BBRD9
SCHEMBL4753628 0.87 FFAR1 (0.34) FFAR1
SCHEMBL13983564 0.86 FFAR1 (0.38) FFAR1HTR1AHTR1DHTR1BBRD9
SCHEMBL4755591 0.85 BRD9 (0.33) FFAR1BRD9
SCHEMBL13983525 0.84 FFAR1 (0.36) FFAR1BRD9FFAR4JAK2JAK3
SCHEMBL13983559 0.84 FFAR1 (0.34) FFAR1HTR1AHTR1DHTR1BCNR2
SCHEMBL13983099 0.82 TRPV1 (0.37) FFAR1CNR2BRD9FFAR4JAK2
SCHEMBL4756392 0.82

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