SCHEMBL7828675

SCHEMBL7828675

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

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.66

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
SCHEMBL8477715 1.00 TACR1 (0.66) TACR1
SCHEMBL6098598 0.92 TACR1 (0.63) TACR1
SCHEMBL8836966 0.91 TACR1 (0.64) TACR1
SCHEMBL7822914 0.91 TACR1 (0.64) TACR1
SCHEMBL6098703 0.91 TACR1 (0.65) TACR1
Hydrochloric Acid SCHEMBL7823095 0.91 TACR1 (0.63) TACR1
Hydrochloric Acid SCHEMBL8478549 0.91 TACR1 (0.63) TACR1
SCHEMBL8480232 0.89 TACR1 (0.66) TACR1
SCHEMBL6100165 0.89 TACR1 (0.66) TACR1
SCHEMBL7823721 0.88 TACR1 (0.65) 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