SCHEMBL1727869

SCHEMBL1727869

N#Cc1cccnc1N1CCC(CNC(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.62
▸ RECQL P46063 1/20 0.62
▸ LDHA P00338 1/20 0.62
▸ HSD11B1 P28845 2/20 0.50
▸ MALT1 Q9UDY8 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ HDAC2 Q92769 1/20 0.47
▸ PANK3 Q9H999 1/20 0.47
▸ ACKR3 P25106 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ P2RX7 Q99572 1/20 0.44

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
SCHEMBL1727887 0.89 KDM4E (0.60) KDM4ERECQLLDHAHSD11B1MALT1
SCHEMBL13622633 0.84 KDM4E (0.66) KDM4ERECQLLDHAHSD11B1MALT1
SCHEMBL3267012 0.83 KDM4E (0.59) KDM4ERECQLLDHAHSD11B1MALT1
SCHEMBL1727773 0.82 P2RX7 (0.54) LDHAMALT1DRD2P2RX7
SCHEMBL1728655 0.82 MALT1 (0.45) KDM4ELDHAMALT1ALDH1A1P2RX7
SCHEMBL5220690 0.82 KDM4E (0.66) KDM4ERECQLLDHAHSD11B1MALT1
SCHEMBL30164232 0.82 CHRM4 (0.56) KDM4EALDH1A1DRD2HTR2AKDM1A
SCHEMBL3110161 0.80 KDM4E (0.79) KDM4ERECQLLDHAHSD11B1MALT1
SCHEMBL8221019 0.79 LDHA (0.51) KDM4ERECQLLDHAHSD11B1MALT1
Trifluoroacetic Acid SCHEMBL1023728 0.79 KDM4E (0.58) KDM4ERECQLLDHAHSD11B1MALT1

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 — — EP claimed
Send feedback