SCHEMBL28565965

SCHEMBL28565965

O=C(O)N1CCC(OCCCCCc2ccc3cccnc3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 1/20 0.43
ITGB6 P18564 1/20 0.43
SUCNR1 Q9BXA5 13/20 0.41
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.36
VNN1 O95497 1/20 0.35
OXGR1 Q96P68 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34

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
SCHEMBL28334820 0.99 ITGAV (0.44) ITGAVITGB6SUCNR1LMNAMAPK1
SCHEMBL21767609 0.87 ITGAV (0.41) ITGAVITGB6
SCHEMBL21767607 0.87 ITGAV (0.41) ITGAVITGB6
SCHEMBL28565963 0.86 LMNA (0.36) ITGAVITGB6LMNAMAPK1KMT2A
SCHEMBL20481267 0.86 ITGAV (0.42) ITGAVITGB6
SCHEMBL20487397 0.86 ITGAV (0.39) ITGAVITGB6SUCNR1LMNAMAPK1
SCHEMBL30336019 0.86 ITGAV (0.42) ITGAVITGB6
SCHEMBL20481266 0.86 ITGAV (0.42) ITGAVITGB6
SCHEMBL28562358 0.85 LMNA (0.36) ITGAVITGB6LMNAMAPK1KMT2A
SCHEMBL28334819 0.85 LMNA (0.36) ITGAVITGB6LMNAMAPK1KMT2A

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
CN-112805001-A Inhibition of alpha v beta 6 integrins 莫菲克医疗股份有限公司 2021-05-14 CN disclosed