SCHEMBL9075546

SCHEMBL9075546

FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3cccnn3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.74

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
SCHEMBL9544240 0.89 TACR1 (0.77) TACR1
SCHEMBL9194148 0.89 TACR1 (0.77) TACR1
Hydrochloric Acid SCHEMBL9076701 0.88 TACR1 (0.75) TACR1
Hydrochloric Acid SCHEMBL9076697 0.88 TACR1 (0.75) TACR1
SCHEMBL9075347 0.86 TACR1 (0.73) TACR1
SCHEMBL9024804 0.86 TACR1 (0.94) TACR1
SCHEMBL9024829 0.86 TACR1 (0.94) TACR1
SCHEMBL9024814 0.86 TACR1 (0.94) TACR1
SCHEMBL9024514 0.85 TACR1 (1.00) TACR1
SCHEMBL9366823 0.85 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636130-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LTD. (GB) 1995-02-01 EP claimed
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
WO-1993021181-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1993-10-28 WO disclosed