SCHEMBL8063505

SCHEMBL8063505

CN(CC(CCN1CCC2(CC1)CN(S(C)(=O)=O)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.49
TACR1 P25103 3/20 0.49

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
SCHEMBL8063501 1.00 TACR2 (0.49) TACR2TACR1
SCHEMBL8063459 0.92 TACR2 (0.54) TACR2TACR1
SCHEMBL8063456 0.92 TACR2 (0.54) TACR2TACR1
SCHEMBL8067357 0.92 TACR2 (0.52) TACR2TACR1
SCHEMBL8067359 0.92 TACR2 (0.52) TACR2TACR1
SCHEMBL8067299 0.91 TACR2 (0.51) TACR2TACR1
SCHEMBL8067295 0.91 TACR2 (0.51) TACR2TACR1
SCHEMBL8053499 0.91 TACR2 (0.52) TACR2TACR1
SCHEMBL8053503 0.91 TACR2 (0.52) TACR2TACR1
SCHEMBL8062795 0.89 TACR2 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0702681-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO. INC. (US) 1996-03-27 EP disclosed
WO-1994029309-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-12-22 WO disclosed