SCHEMBL7826751

SCHEMBL7826751

O=C(CCCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.65

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
SCHEMBL6133266 0.92 TACR1 (0.60) TACR1
SCHEMBL7823739 0.91 TACR1 (0.71) TACR1
SCHEMBL8480834 0.89 TACR1 (0.69) TACR1
SCHEMBL7815070 0.89 TACR1 (0.69) TACR1
SCHEMBL8836620 0.89 TACR1 (0.68) TACR1
SCHEMBL7827805 0.89 TACR1 (0.68) TACR1
Hydrochloric Acid SCHEMBL7826763 0.89 TACR1 (0.70) TACR1
Hydrochloric Acid SCHEMBL8475421 0.89 TACR1 (0.70) TACR1
SCHEMBL7830679 0.89 TACR1 (0.67) TACR1
SCHEMBL8478098 0.89 TACR1 (0.67) 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