SCHEMBL8064849

SCHEMBL8064849

CN(CC(CCN1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.58
TACR1 P25103 2/20 0.58

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
SCHEMBL8064848 1.00 TACR2 (0.58) TACR2TACR1
SCHEMBL8063712 0.94 TACR2 (0.56) TACR2TACR1
SCHEMBL8063716 0.94 TACR2 (0.56) TACR2TACR1
SCHEMBL8069588 0.94 TACR2 (0.66) TACR2TACR1
SCHEMBL8069589 0.94 TACR2 (0.66) TACR2TACR1
SCHEMBL8067430 0.93 TACR2 (0.55) TACR2TACR1
SCHEMBL8067432 0.93 TACR2 (0.55) TACR2TACR1
SCHEMBL8053521 0.92 TACR2 (0.55) TACR2TACR1
SCHEMBL8053525 0.92 TACR2 (0.55) TACR2TACR1
SCHEMBL8062838 0.91 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025605-A1 SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO claimed
US-6013652-A ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIHISTAMINES MERCK & CO., INC. (US) 2000-01-11 US disclosed
US-5962462-A COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). MERCK & CO., INC. (US) 1999-10-05 US disclosed