SCHEMBL7829857

SCHEMBL7829857

Cc1cc(C)cc(C(=O)N2CCN(CC(N)=O)C[C@H]2Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.60

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
SCHEMBL7824174 0.92 TACR1 (0.61) TACR1
SCHEMBL7829988 0.87 ERAP2 (0.62) TACR1
SCHEMBL7822755 0.87 TACR1 (0.76) TACR1
SCHEMBL8481191 0.87 TACR1 (0.76) TACR1
Hydrochloric Acid SCHEMBL7826655 0.86 TACR1 (0.75) TACR1
SCHEMBL7823708 0.86 TACR1 (0.57) TACR1
SCHEMBL6101405 0.83 TACR1 (0.51) TACR1
SCHEMBL27493707 0.80 TACR1 (0.60) TACR1
SCHEMBL7830134 0.80 DNMT1 (0.48) TACR1
SCHEMBL6099304 0.80 TACR1 (0.82) 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
EP-0655442-B1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 EP disclosed
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP disclosed