SCHEMBL3405231

SCHEMBL3405231

COCCn1ccnc1-c1nc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](OC)C2)sc1OC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.60

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
SCHEMBL3401369 0.95 ABCC2 (0.58) ABCC2
SCHEMBL3405801 0.94 ABCC2 (0.61) ABCC2
SCHEMBL3405800 0.92 ABCC2 (0.53) ABCC2
SCHEMBL3401128 0.92 — —
SCHEMBL3405310 0.92 ABCC2 (0.64) ABCC2
SCHEMBL3402954 0.91 ABCC2 (0.69) ABCC2
SCHEMBL3403540 0.90 ABCC2 (0.63) ABCC2
SCHEMBL3400589 0.89 ABCC2 (0.56) ABCC2
SCHEMBL3405895 0.89 ABCC2 (0.58) ABCC2
SCHEMBL3406258 0.88 ABCC2 (0.51) ABCC2

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-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 — — EP claimed
Send feedback