SCHEMBL8480860

SCHEMBL8480860

O=C(/C=C/c1ccc(O)cc1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.54
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
CA1 P00915 10/20 0.46
CA2 P00918 10/20 0.46
CA4 P22748 10/20 0.46
CA9 Q16790 10/20 0.46
ABCB1 P08183 1/20 0.46
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8480864 1.00 TACR1 (0.54) TACR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8478388 0.95 TACR1 (0.55) TACR1CA1CA2CA4CA9
SCHEMBL8478382 0.95 TACR1 (0.55) TACR1CA1CA2CA4CA9
SCHEMBL8475742 0.95 TACR1 (0.57) TACR1CA1CA2CA4CA9
SCHEMBL8475749 0.95 TACR1 (0.57) TACR1CA1CA2CA4CA9
SCHEMBL8480494 0.93 TACR1 (0.54) TACR1CA1CA2CA4CA9
SCHEMBL8478269 0.93 TACR1 (0.54) TACR1CA1CA2CA4CA9
SCHEMBL8478266 0.93 TACR1 (0.54) TACR1CA1CA2CA4CA9
SCHEMBL8480490 0.93 TACR1 (0.54) TACR1CA1CA2CA4CA9
SCHEMBL8479098 0.92 TACR1 (0.53) 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