SCHEMBL7316461

SCHEMBL7316461

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.34
DRD3 P35462 2/20 0.34
HTR2B P41595 2/20 0.31
FAAH O00519 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
KCNA3 P22001 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
RORC P51449 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
SCHEMBL7316507 0.95 FAAH (0.33) DRD2DRD3FAAHSIGMAR1
SCHEMBL7310892 0.95 DRD2 (0.33) DRD2DRD3HTR2BFAAHSIGMAR1
SCHEMBL7306960 0.94 GPR119 (0.33) DRD2DRD3FAAHSIGMAR1
SCHEMBL7310067 0.93 DRD2 (0.33) DRD2DRD3FAAH
SCHEMBL7317037 0.92 DRD2 (0.33) DRD2DRD3HTR2BRORC
SCHEMBL7308728 0.91 SIGMAR1 (0.34) HTR2BSIGMAR1KCNA3
SCHEMBL7313311 0.91 FAAH (0.33) DRD2DRD3FAAHSIGMAR1
SCHEMBL7310946 0.90 GPR119 (0.33) DRD2DRD3FAAHSIGMAR1
SCHEMBL7315494 0.90 SIGMAR1 (0.36) DRD2HTR2BSIGMAR1
SCHEMBL7309520 0.90 SIGMAR1 (0.36) DRD2HTR2BSIGMAR1

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