SCHEMBL6000603

SCHEMBL6000603

CN(C[C@@H](CCN1CC(N2CCC(F)CC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.60
TACR1 P25103 1/20 0.47

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
SCHEMBL4265273 0.87 TACR2 (0.68) TACR2
SCHEMBL4262600 0.82 TACR2 (0.66) TACR2
SCHEMBL5800848 0.82 TACR2 (0.66) TACR2
SCHEMBL6000611 0.82 TACR2 (0.56) TACR2
SCHEMBL6002515 0.81 CCR5 (0.45) TACR2
SCHEMBL4265200 0.80 TACR2 (0.68) TACR2
SCHEMBL4873798 0.79 TACR2 (0.56) TACR2TACR1
SCHEMBL7670505 0.79 TACR2 (0.56) TACR2TACR1
SCHEMBL4265276 0.78 TACR2 (0.55) TACR2
SCHEMBL7675290 0.77 TACR2 (0.58) TACR2TACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed