SCHEMBL21705487

SCHEMBL21705487

CC(=O)C(Cc1ccc(OCCCCC2CCNCC2)cc1)C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.66
ITGA2B P08514 20/20 0.66
ITGAV P06756 2/20 0.57
CHRM2 P08172 1/20 0.57
SLC6A4 P31645 1/20 0.57

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
SCHEMBL24336633 0.91 ITGB3 (0.69) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL26480221 0.87 ITGB3 (0.60) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7321895 0.82 ITGB3 (0.74) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL14427044 0.82 ITGB3 (0.72) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL21705482 0.82 ITGB3 (0.72) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7444460 0.82 ITGB3 (0.72) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7313762 0.81 ITGB3 (0.71) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8280241 0.80 ITGB3 (0.63) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7320414 0.79 ITGB3 (0.71) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL13649247 0.79 ITGB3 (0.63) ITGB3ITGA2BITGAVCHRM2SLC6A4

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-2020033724-A1 INTEGRIN ANTAGONISTS THE GENERAL HOSPITAL CORPORATION (US) 2020-02-13 WO disclosed