SCHEMBL9025510

SCHEMBL9025510

Cc1ccc([C@H]2[C@@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.66

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
SCHEMBL9025492 1.00 TACR1 (0.66) TACR1
SCHEMBL9025495 1.00 TACR1 (0.66) TACR1
SCHEMBL9025115 0.92 TACR1 (0.65) TACR1
SCHEMBL9025141 0.92 TACR1 (0.65) TACR1
SCHEMBL9025124 0.92 TACR1 (0.65) TACR1
SCHEMBL9165193 0.92 TACR1 (0.79) TACR1
SCHEMBL9076634 0.92 TACR1 (0.79) TACR1
SCHEMBL9165199 0.92 TACR1 (0.79) TACR1
SCHEMBL9025637 0.86 TACR1 (0.65) TACR1
SCHEMBL9025633 0.86 TACR1 (0.65) 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
EP-0600952-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME (GB) 1996-04-17 EP disclosed
US-5459270-A Tachykinin antagonist for central nervous systum disorders and cardiovascular disorders MERCK SHARP & DOHME LIMITED (GB) 1995-10-17 US disclosed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO disclosed
EP-0528495-A1 Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them MERCK SHARP & DOHME LTD. (GB) 1993-02-24 EP disclosed