SCHEMBL7830124

SCHEMBL7830124

C=C(C(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.58

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
SCHEMBL8475039 0.92 TACR1 (0.61) TACR1
SCHEMBL7816043 0.92 TACR1 (0.61) TACR1
SCHEMBL8480302 0.88 TACR1 (0.64) TACR1
SCHEMBL7824334 0.88 TACR1 (0.64) TACR1
SCHEMBL8475754 0.85 TACR1 (0.59) TACR1
SCHEMBL7827053 0.85 TACR1 (0.59) TACR1
SCHEMBL7827385 0.85 TACR1 (0.64) TACR1
SCHEMBL8475946 0.85 TACR1 (0.64) TACR1
SCHEMBL7815972 0.84 TACR1 (0.66) TACR1
SCHEMBL7816243 0.84 TACR1 (0.66) 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