SCHEMBL7988609

SCHEMBL7988609

Oc1ccccc1OC[C@H]1CCCN1c1ncnc2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 15/20 0.55
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42

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
SCHEMBL2548670 0.88 METAP2 (0.71) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL2546194 0.88 METAP2 (0.69) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL2546190 0.88 METAP2 (0.69) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL2548665 0.88 METAP2 (0.71) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL2541684 0.69 METAP2 (0.51) METAP2
SCHEMBL2541689 0.69 METAP2 (0.51) METAP2
SCHEMBL2547052 0.69 METAP2 (1.00) METAP2
SCHEMBL2547055 0.69 METAP2 (1.00) METAP2
SCHEMBL2547047 0.69 METAP2 (0.57) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL2547042 0.69 METAP2 (0.57) METAP2CHRNB4CHRNA3CHRNB1CHRNB2

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-2010003475-A2 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-01-14 WO disclosed