SCHEMBL8268564

SCHEMBL8268564

O=S(=O)(C1CC=C(Cl)c2nonc21)N1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.39
SIGMAR1 Q99720 1/20 0.39
OXTR P30559 1/20 0.37

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
SCHEMBL6391427 0.71 AVPR1A (0.43) AVPR1ASIGMAR1
SCHEMBL5280469 0.69 NPC1 (0.47) AVPR1ASIGMAR1OXTR
SCHEMBL19608944 0.67 ALDH1A1 (0.58) SIGMAR1
SCHEMBL5281210 0.66 AVPR1A (0.46) AVPR1A
SCHEMBL5343964 0.65 AVPR1A (0.47) AVPR1ASIGMAR1
SCHEMBL15963361 0.64 SIGMAR1 (0.59) AVPR1ASIGMAR1
SCHEMBL15963350 0.64 ALDH1A1 (0.54) SIGMAR1
SCHEMBL6919513 0.63 SIGMAR1 (0.57) SIGMAR1
SCHEMBL13610481 0.62 SIGMAR1 (0.53) AVPR1ASIGMAR1
SCHEMBL9615977 0.62 SIGMAR1 (0.54) AVPR1ASIGMAR1

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-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed