SCHEMBL7830679

SCHEMBL7830679

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CCCc2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.67

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
SCHEMBL8478098 1.00 TACR1 (0.67) TACR1
Hydrochloric Acid SCHEMBL7826610 0.99 TACR1 (0.66) TACR1
Hydrochloric Acid SCHEMBL8480077 0.99 TACR1 (0.66) TACR1
Hydrochloric Acid SCHEMBL8482957 0.93 TACR1 (0.62) TACR1
SCHEMBL8142344 0.92 TACR1 (0.61) TACR1
Hydrochloric Acid SCHEMBL6132873 0.91 TACR1 (0.61) TACR1
SCHEMBL8480834 0.91 TACR1 (0.69) TACR1
SCHEMBL7815070 0.91 TACR1 (0.69) TACR1
SCHEMBL7553568 0.91 TACR1 (0.70) TACR1
SCHEMBL7817201 0.90 TACR1 (0.71) 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