SCHEMBL7816243

SCHEMBL7816243

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

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
SCHEMBL7815972 0.91 TACR1 (0.66) TACR1
SCHEMBL7824405 0.91 TACR1 (0.70) TACR1
SCHEMBL8482327 0.90 TACR1 (0.65) TACR1
SCHEMBL7824334 0.90 TACR1 (0.64) TACR1
SCHEMBL7825755 0.90 TACR1 (0.64) TACR1
SCHEMBL8480232 0.90 TACR1 (0.66) TACR1
SCHEMBL6100165 0.90 TACR1 (0.66) TACR1
SCHEMBL8480302 0.90 TACR1 (0.64) TACR1
SCHEMBL7815538 0.90 TACR1 (0.65) TACR1
SCHEMBL7824741 0.89 TACR1 (0.63) 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 3 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
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP disclosed