SCHEMBL8580532

SCHEMBL8580532

Cc1cccc(C(=O)N(C)C[C@@H](CC=O)c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.51
TACR1 P25103 2/20 0.46

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
SCHEMBL8063574 0.90 TACR2 (0.48) TACR2TACR1
SCHEMBL8053254 0.90 TACR2 (0.48) TACR2TACR1
SCHEMBL4610805 0.89 TACR2 (0.62) TACR2TACR1
SCHEMBL4876954 0.89 TACR2 (0.62) TACR2TACR1
SCHEMBL8870093 0.89 TACR2 (0.62) TACR2TACR1
SCHEMBL8332427 0.84 TACR2 (0.49) TACR2TACR1
SCHEMBL8069511 0.84 TACR2 (0.49) TACR2TACR1
SCHEMBL6663184 0.80 TACR2 (0.46) TACR2TACR1
SCHEMBL4257408 0.80 TACR2 (0.46) TACR2TACR1
SCHEMBL8099839 0.80 TACR1 (0.54) 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
WO-1998025617-A1 SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
US-5607936-A USEFUL IN TREATMENT OF RESPIRATORY DISEASES MERCK & CO., INC. (US) 1997-03-04 US disclosed