SCHEMBL7822669

SCHEMBL7822669

O=C(/C=C/c1cccnc1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.55

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
SCHEMBL8836381 1.00 TACR1 (0.55) TACR1
SCHEMBL7822675 1.00 TACR1 (0.55) TACR1
SCHEMBL7826858 0.92 TACR1 (0.60) TACR1
SCHEMBL8481271 0.92 TACR1 (0.60) TACR1
SCHEMBL7826863 0.92 TACR1 (0.60) TACR1
SCHEMBL8481269 0.92 TACR1 (0.60) TACR1
SCHEMBL8475721 0.88 TACR1 (0.56) TACR1
SCHEMBL8475718 0.88 TACR1 (0.56) TACR1
SCHEMBL9238673 0.88 TACR1 (0.56) TACR1
SCHEMBL9238666 0.88 TACR1 (0.56) 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