SCHEMBL9075952

SCHEMBL9075952

FC(F)(F)c1cc(COC2CCCN(Cc3ccco3)C2c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00

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
SCHEMBL9075955 1.00 TACR1 (1.00) TACR1
SCHEMBL9024814 0.88 TACR1 (0.94) TACR1
SCHEMBL9024829 0.88 TACR1 (0.94) TACR1
SCHEMBL9024804 0.88 TACR1 (0.94) TACR1
SCHEMBL9366823 0.87 TACR1 (1.00) TACR1
SCHEMBL9024514 0.87 TACR1 (1.00) TACR1
SCHEMBL8539701 0.85 TACR1 (0.73) TACR1
SCHEMBL9076046 0.83 TACR1 (0.77) TACR1
SCHEMBL9076044 0.83 TACR1 (0.77) TACR1
SCHEMBL9544240 0.81 TACR1 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993021181-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1993-10-28 WO claimed
US-5496833-A BRONCHODILATOR, ANTIINFLAMMATORY, ANTIARTHRITIC, ANALGESIC, AND ANTIMIGRAINE AGENTS MERCK SHARP & DOHME LIMITED (GB) 1996-03-05 US disclosed
US-5444074-A Treating diseases associated with excess of substance P MERCK SHARP & DOHME LIMITED (GB) 1995-08-22 US disclosed