SCHEMBL8836388

SCHEMBL8836388

Cc1ccc(C[C@@H]2CN(CC(=O)OCc3ccccc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.49

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
Hydrochloric Acid SCHEMBL8479186 0.99 TACR1 (0.48) TACR1
SCHEMBL9240525 0.88 TACR1 (0.50) TACR1
SCHEMBL8479847 0.88 TACR1 (0.50) TACR1
Hydrochloric Acid SCHEMBL9237240 0.87 TACR1 (0.49) TACR1
Hydrochloric Acid SCHEMBL8476619 0.87 TACR1 (0.49) TACR1
SCHEMBL6133084 0.87 TACR1 (0.54) TACR1
SCHEMBL8476041 0.87 TACR1 (0.48) TACR1
SCHEMBL9237571 0.86 TACR1 (0.47) TACR1
SCHEMBL8481444 0.86 TACR1 (0.47) TACR1
Hydrochloric Acid SCHEMBL8481316 0.86 TACR1 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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