SCHEMBL7824741

SCHEMBL7824741

O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.63

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
SCHEMBL8479219 1.00 TACR1 (0.63) TACR1
SCHEMBL7815972 0.94 TACR1 (0.66) TACR1
SCHEMBL7831297 0.93 TACR1 (0.64) TACR1
SCHEMBL8475971 0.93 TACR1 (0.64) TACR1
SCHEMBL7831307 0.92 TACR1 (0.62) TACR1
SCHEMBL8480292 0.92 TACR1 (0.67) TACR1
SCHEMBL7816140 0.92 TACR1 (0.67) TACR1
Hydrochloric Acid SCHEMBL7826469 0.92 TACR1 (0.61) TACR1
SCHEMBL8481306 0.90 TACR1 (0.62) TACR1
SCHEMBL7825096 0.90 TACR1 (0.62) 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