SCHEMBL2906910

SCHEMBL2906910

COC(=O)/C=C(/CC1CCNCC1)c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGDS O60760 2/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
MGAM O43451 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
PDE4D Q08499 1/20 0.39
MAOB P27338 1/20 0.39
RAB9A P51151 2/20 0.39
KDM1A O60341 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CFTR P13569 1/20 0.38
METTL3 Q86U44 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
SCHEMBL2906912 1.00 KMT2A (0.50) KMT2ASMN1; SMN2KDM4EHPGDSCHRNB2
SCHEMBL8021165 0.90 KMT2A (0.49) KMT2ASMN1; SMN2KDM4EHPGDSCHRNB2
SCHEMBL2901764 0.81 KDM4E (0.46) KMT2ASMN1; SMN2KDM4EHPGDSCHRNB2
SCHEMBL2902476 0.81 KDM4E (0.46) KMT2ASMN1; SMN2KDM4EHPGDSCHRNB2
SCHEMBL2901762 0.81 KDM4E (0.46) KMT2ASMN1; SMN2KDM4EHPGDSCHRNB2
SCHEMBL13096310 0.74 KDM4E (0.58) KMT2ASMN1; SMN2KDM4EHPGDSMGAM
SCHEMBL10154196 0.73 KMT2A (0.49) KMT2ASMN1; SMN2KDM4EHPGDSCHRNB2
SCHEMBL4238969 0.73 FAAH (0.48) KMT2AHPGDSCHRNB2CHRNA7CHRNA4
SCHEMBL2905053 0.71 KDM4E (0.48) KMT2AKDM4EHPGDSCHRNB2CHRNA7
SCHEMBL2905047 0.71 KDM4E (0.48) KMT2AKDM4EHPGDSCHRNB2CHRNA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO claimed
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed