SCHEMBL4753246

SCHEMBL4753246

Cc1nc2c(OCc3ccccc3)cc(N3CCC3=O)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
MCHR1 Q99705 8/20 0.39
SRD5A1 P18405 2/20 0.39
SRD5A2 P31213 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNA7 P36544 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MPO P05164 1/20 0.38
HRH4 Q9H3N8 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 0.94 FFAR1 (0.43) HRH3MCHR1MEN1NPC1RAB9A
SCHEMBL4753629 0.93 BRD9 (0.41) HRH3MCHR1MEN1NPC1RAB9A
SCHEMBL4662895 0.76 MEN1 (0.46) SRD5A1SRD5A2MEN1NPC1RAB9A
SCHEMBL5901760 0.75 RHEB (0.49) SRD5A1SRD5A2MEN1NPC1RAB9A
SCHEMBL5901519 0.75 KMT2A (0.45) SRD5A1SRD5A2MEN1NPC1RAB9A
SCHEMBL5901935 0.75 HPGD (0.51) SRD5A1SRD5A2MEN1NPC1RAB9A
SCHEMBL5901336 0.74 PPIA (0.47) SRD5A1SRD5A2MEN1NPC1RAB9A
SCHEMBL4755523 0.74 BRD9 (0.36) MEN1KMT2A
SCHEMBL5173716 0.73 MAPT (0.53) MEN1NPC1RAB9AKMT2ACYP3A4
SCHEMBL4664782 0.72 CYP11B1 (0.49) SRD5A1SRD5A2MEN1RAB9AKMT2A

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