SCHEMBL8654642

SCHEMBL8654642

COC(=O)CCN1CCN(C2OC(=O)N(C)C2CCN2CCN(C(=N)N)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 3/20 0.31
KDM1A O60341 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL8659278 0.94 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EKMT2AKDM1A
SCHEMBL8655552 0.94 SMN1; SMN2 (0.34) SMN1; SMN2KDM1A
SCHEMBL8658988 0.93 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL8660886 0.92 ITGB3 (0.32) SMN1; SMN2KDM1ALMNA
SCHEMBL8655456 0.90 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1KMT2AKDM1AHPGD
SCHEMBL8655360 0.89 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL8661310 0.89 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8655580 0.89 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8657958 0.89 ITGB3 (0.32)
SCHEMBL8661588 0.88 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EKDM1AMAPT

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-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed