SCHEMBL4750197

SCHEMBL4750197

O=c1n(CC[C@@H]2CNCCN2)c2ccccc2n1C1=CCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTR7 P34969 3/20 0.32
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.30
LTA4H P09960 1/20 0.30
PARG Q86W56 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
Hydrochloric Acid SCHEMBL4291309 0.79 LMNA (0.36) LMNAMAPTHTR7
SCHEMBL3648904 0.75 LMNA (0.48) LMNAMAPTHTR7PARG
SCHEMBL1492377 0.72 LMNA (0.44) LMNAMAPTHTR7PARG
SCHEMBL20371571 0.69 LMNA (0.46) LMNAMAPTHPGDPARG
SCHEMBL4295055 0.69 LMNA (0.35) LMNAMAPTHTR7
SCHEMBL8129587 0.68 LMNA (0.54) LMNAMAPTHTR6KDM4E
SCHEMBL14487357 0.66 APEX1 (0.56) LMNAMAPTKDM4EHPGD
SCHEMBL9292292 0.65 ACHE (0.48) LMNALTA4H
SCHEMBL15730254 0.65 LMNA (0.49) LMNAMAPTKDM4EHPGD
SCHEMBL7051699 0.63 NPY1R (0.48) HPGDLTA4H

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed