SCHEMBL9166338

SCHEMBL9166338

O=C(O)CC1CCCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.85

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
SCHEMBL9430505 1.00 TACR1 (0.85) TACR1
SCHEMBL9170920 0.92 TACR1 (1.00) TACR1
SCHEMBL9429454 0.91 TACR1 (0.76) TACR1
SCHEMBL9164285 0.90 TACR1 (0.79) TACR1
SCHEMBL9429077 0.86 TACR1 (0.82) TACR1
SCHEMBL9429696 0.80 TACR1 (0.64) TACR1
SCHEMBL9429718 0.79 TACR1 (0.64) TACR1
SCHEMBL9429704 0.79 TACR1 (0.63) TACR1
SCHEMBL5215271 0.76 TACR1 (1.00) TACR1
SCHEMBL8325654 0.76 TACR1 (1.00) TACR1

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-5387595-A Antiinflammatory agents MERCK & CO., INC. (US) 1995-02-07 US claimed
WO-1994004487-A1 ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-03-03 WO claimed
US-5387595-A Antiinflammatory agents MERCK & CO., INC. (US) 1995-02-07 US disclosed
WO-1994004487-A1 ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-03-03 WO disclosed