SCHEMBL7817864

SCHEMBL7817864

NC(=O)[C@H]1CNCCN1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR6 P50406 1/20 0.34
FPR2 P25090 2/20 0.32
SCN9A Q15858 2/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31

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
SCHEMBL572568 1.00 KDM4E (0.38) KDM4EMAPTKMT2AATMCYP2D6
Water SCHEMBL7151392 0.98 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL30111027 0.86 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL27701676 0.86 SLC6A1 (0.34) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL5892838 0.86 SLC6A1 (0.34) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL23827563 0.86 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL3785744 0.86 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL6989956 0.85 KDM4E (0.32) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL27824226 0.85 SLC6A1 (0.33) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL7349678 0.85 ATM (0.36) KDM4EMAPTKMT2AATMCYP2D6

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
EP-1140902-A1 TRICYCLIC FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000037459-A1 TRICYCLIC FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2000-06-29 WO disclosed