SCHEMBL7308728

SCHEMBL7308728

CC(C)(C)OC(=O)NC(=N)N1CCN(CCN2CC(CN3CCN(CCC(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.34
HTR2B P41595 2/20 0.32
KCNA3 P22001 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL7309520 0.95 SIGMAR1 (0.36) SIGMAR1HTR2B
SCHEMBL7315494 0.95 SIGMAR1 (0.36) SIGMAR1HTR2B
SCHEMBL7307508 0.95 SIGMAR1 (0.36) SIGMAR1HTR2B
SCHEMBL7303526 0.93 SIGMAR1 (0.33) SIGMAR1HTR2BCD274
SCHEMBL7304829 0.92 SMN1; SMN2 (0.32) SIGMAR1
SCHEMBL7316461 0.91 DRD2 (0.34) SIGMAR1HTR2BKCNA3
SCHEMBL7309308 0.91 SIGMAR1 (0.36) SIGMAR1HTR2B
SCHEMBL7314220 0.91 SIGMAR1 (0.36) SIGMAR1HTR2B
SCHEMBL7316507 0.90 FAAH (0.33) SIGMAR1
SCHEMBL7306960 0.89 GPR119 (0.33) SIGMAR1

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