SCHEMBL7317037

SCHEMBL7317037

CC(C)(C)OC(=O)NC(=N)N1CCC(CCN2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.33
DRD3 P35462 2/20 0.33
HTR2B P41595 2/20 0.32
RORC P51449 2/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
PTK2 Q05397 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL7306190 0.95 GPR119 (0.32) DRD2DRD3
SCHEMBL7306785 0.94 GPR119 (0.33) DRD2
SCHEMBL7316461 0.92 DRD2 (0.34) DRD2DRD3HTR2BRORC
SCHEMBL7316825 0.92 ITGB3 (0.34) DRD2DRD3RORCITGB3ITGA2B
SCHEMBL7310892 0.91 DRD2 (0.33) DRD2DRD3HTR2BITGB3ITGA2B
SCHEMBL7303526 0.91 SIGMAR1 (0.33) HTR2BITGB3ITGA2B
SCHEMBL7307739 0.89 SIGMAR1 (0.35) DRD2HTR2BITGB3ITGA2B
SCHEMBL7313036 0.89 SIGMAR1 (0.35) DRD2HTR2BITGB3ITGA2B
SCHEMBL7310067 0.88 DRD2 (0.33) DRD2DRD3JAK2JAK3PTK2
SCHEMBL7316507 0.88 FAAH (0.33) DRD2DRD3

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
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed