SCHEMBL13635681

SCHEMBL13635681

O=C(CO)c1ccc2c3ccccc3n(CCN3CCCC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.54
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PTGER4 P35408 2/20 0.46
▸ HTR7 P34969 4/20 0.45
▸ CNR1 P21554 1/20 0.45

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
SCHEMBL13011475 0.87 PTGER4 (0.58) CNR2KDM4EPTGER4HTR7CNR1
SCHEMBL13011460 0.83 OPRK1 (0.55) CNR2PTGER4CNR1
SCHEMBL13011761 0.81 CNR2 (0.50) CNR2KDM4EPTGER4HTR7CNR1
SCHEMBL18028057 0.78 POLB (0.58) CNR2KMT2AHTR7
SCHEMBL13011314 0.78 PTGER4 (0.59) CNR2PTGER4HTR7CNR1
SCHEMBL13635107 0.74 MEN1 (0.47) CNR2KDM4EMEN1MAPTKMT2A
SCHEMBL13011305 0.74 CNR1 (0.58) ATMCNR1
SCHEMBL10702606 0.73 KDM4E (0.60) CNR2KDM4EKMT2A
SCHEMBL13011809 0.72 CNR1 (0.48) CNR2ATMPTGER4HTR7CNR1
SCHEMBL10701582 0.72 KDM4E (0.62) CNR2KDM4EKMT2A

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
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — EP disclosed
Send feedback