SCHEMBL7826486

SCHEMBL7826486

N#CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.70

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
SCHEMBL8480675 1.00 TACR1 (0.70) TACR1
SCHEMBL6132806 0.89 TACR1 (0.67) TACR1
SCHEMBL6132954 0.88 TACR1 (0.72) TACR1
SCHEMBL7554993 0.88 TACR1 (0.77) TACR1
SCHEMBL7459509 0.88 TACR1 (0.75) TACR1
Hydrochloric Acid SCHEMBL7467139 0.87 TACR1 (0.69) TACR1
Hydrochloric Acid SCHEMBL7464763 0.87 TACR1 (0.74) TACR1
SCHEMBL8481191 0.87 TACR1 (0.76) TACR1
SCHEMBL7827040 0.87 TACR1 (0.71) TACR1
SCHEMBL7828222 0.87 TACR1 (0.71) 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
EP-0655442-B1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 EP disclosed
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP disclosed