SCHEMBL7958872

SCHEMBL7958872

NCCc1ccc(CNC(=O)N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 11/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ TPSD1 Q9BZJ3 7/20 0.51
▸ TPSG1 Q9NRR2 7/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.49
▸ PRSS1 P07477 5/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL7448516 0.82 TPSAB1 (0.62) TPSAB1MEN1KMT2AKDM4ETPSD1
SCHEMBL7422609 0.79 TPSAB1 (0.83) TPSAB1TPSD1TPSG1PRSS1
SCHEMBL1669460 0.78 KDM4E (0.55) TPSAB1MEN1KMT2AKDM4ETPSD1
SCHEMBL7424872 0.78 TPSAB1 (0.53) TPSAB1MEN1KMT2AKDM4ETPSD1
SCHEMBL7094555 0.78 ADRB1 (0.60) TPSAB1MEN1KMT2ATPSD1TPSG1
SCHEMBL19212222 0.77 ME2 (0.50) MEN1KMT2ANPSR1
SCHEMBL20303650 0.77 HRH3 (0.51) MEN1KMT2AKDM4EHRH3
SCHEMBL1668904 0.77 KMT2A (0.57) TPSAB1MEN1KMT2AKDM4ETPSD1
SCHEMBL20705214 0.76 CYP2C19 (0.61) TPSAB1KMT2AKDM4E
SCHEMBL27800313 0.75 KDM4E (0.66) TPSAB1MEN1KMT2AKDM4EHRH3

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
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 — — US disclosed
Send feedback