SCHEMBL21342340

SCHEMBL21342340

COc1ccc(C2CN(c3ccc(OC)cc3)C(=O)CC2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MAPT P10636 4/20 0.50
KDM1A O60341 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.48
PDE4B Q07343 2/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL21342000 0.88 KDM1A (0.44) LMNAMAPTKDM1AKDM4ETP53
SCHEMBL21342456 0.87 FPR1 (0.53) LMNAKDM1APDE4BALDH1A1
SCHEMBL21342416 0.83 KDM1A (0.43) LMNAMAPTKDM1AKDM4EPDE4B
SCHEMBL21342417 0.83 KDM1A (0.43) LMNAMAPTKDM1AKDM4ETP53
SCHEMBL21342018 0.81 KDM1A (0.47) KDM1APDE4B
SCHEMBL21342410 0.81 KDM1A (0.47) KDM1APDE4B
SCHEMBL20001277 0.80 FPR1 (0.63) KDM1APDE4BALDH1A1
SCHEMBL19988380 0.80 FPR1 (0.63) KDM1APDE4BALDH1A1
SCHEMBL15091433 0.79 KDM1A (0.76) KDM1APDE4BSMN1; SMN2
SCHEMBL15091431 0.79 KDM1A (0.76) KDM1APDE4BSMN1; 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-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 WO disclosed