SCHEMBL20487397

SCHEMBL20487397

CCCCOC(=O)N1CCC(OCCCCc2ccc3cccnc3n2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 1/20 0.39
ITGB6 P18564 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
P2RY12 Q9H244 12/20 0.37
SUCNR1 Q9BXA5 1/20 0.36
NOS2 P35228 1/20 0.36
VNN1 O95497 1/20 0.35

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
SCHEMBL30336019 0.88 ITGAV (0.42) ITGAVITGB6GPR119
SCHEMBL20481267 0.88 ITGAV (0.42) ITGAVITGB6GPR119
SCHEMBL20481266 0.88 ITGAV (0.42) ITGAVITGB6GPR119
SCHEMBL28334820 0.87 ITGAV (0.44) ITGAVITGB6KMT2ALMNAMAPK1
SCHEMBL21767609 0.87 ITGAV (0.41) ITGAVITGB6GPR119
SCHEMBL21767607 0.87 ITGAV (0.41) ITGAVITGB6GPR119
SCHEMBL28565965 0.86 ITGAV (0.43) ITGAVITGB6KMT2ALMNAMAPK1
SCHEMBL21767721 0.85 ITGAV (0.42) ITGAVITGB6GPR119
SCHEMBL21767722 0.85 ITGAV (0.42) ITGAVITGB6GPR119
SCHEMBL17629333 0.84 ITGAV (0.41) ITGAVITGB6MAPK1P2RY12NOS2

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
WO-2018160521-A2 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Lazuli, Inc. (US) 2018-09-07 WO disclosed