SCHEMBL3406453

SCHEMBL3406453

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

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.48

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
SCHEMBL3401128 0.95 — —
SCHEMBL3403780 0.94 — —
SCHEMBL3401369 0.92 ABCC2 (0.58) ABCC2
SCHEMBL3403962 0.92 — —
SCHEMBL3404865 0.89 — —
SCHEMBL3407087 0.89 — —
SCHEMBL3399614 0.89 — —
SCHEMBL3405231 0.87 ABCC2 (0.60) ABCC2
SCHEMBL3401130 0.87 — —
SCHEMBL3400993 0.86 — —

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