SCHEMBL8544102

SCHEMBL8544102

COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccc(C)cc1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.87

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
SCHEMBL8544094 1.00 TACR1 (0.87) TACR1
SCHEMBL8544092 1.00 TACR1 (0.87) TACR1
Hydrochloric Acid SCHEMBL8537523 0.99 TACR1 (0.87) TACR1
Hydrochloric Acid SCHEMBL8537528 0.99 TACR1 (0.87) TACR1
Hydrochloric Acid SCHEMBL8537521 0.99 TACR1 (0.87) TACR1
SCHEMBL2490482 0.94 TACR1 (0.87) TACR1
Hydrochloric Acid SCHEMBL8546033 0.93 TACR1 (0.87) TACR1
Vofopitant SCHEMBL310338 0.93 TACR1 (1.00) TACR1
Vofopitant SCHEMBL8431760 0.93 TACR1 (1.00) TACR1
Vofopitant SCHEMBL2996010 0.93 TACR1 (1.00) 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-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 WO disclosed