SCHEMBL8476085

SCHEMBL8476085

O=C(CCCc1ccccc1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.58
CA1 P00915 12/20 0.52
CA2 P00918 12/20 0.52
CA4 P22748 12/20 0.52
CA9 Q16790 12/20 0.52
TACR3 P29371 1/20 0.46

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
SCHEMBL8482171 0.97 TACR1 (0.57) TACR1CA1CA2CA4CA9
SCHEMBL8475431 0.94 TACR1 (0.60) TACR1CA1CA2CA4CA9
SCHEMBL8482237 0.89 TACR1 (0.59) TACR1CA1CA2CA4CA9
SCHEMBL8480058 0.88 CA1 (0.66) TACR1CA1CA2CA4CA9
SCHEMBL6100617 0.87 TACR1 (0.61) TACR1CA1CA2CA4CA9
SCHEMBL8481073 0.87 TACR1 (0.61) TACR1CA1CA2CA4CA9
SCHEMBL8482246 0.87 TACR1 (0.55) TACR1
SCHEMBL8487657 0.86 TACR1 (0.58) TACR1CA1CA2CA4CA9
SCHEMBL8478209 0.86 TACR1 (0.51) TACR1CA1CA2CA4CA9
SCHEMBL9241594 0.86 TACR1 (0.51) TACR1CA1CA2CA4CA9

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
US-5883098-A USED AS TACHYKININ ANTAGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND INFLAMMATORY DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US 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