SCHEMBL7120490

SCHEMBL7120490

CC(c1c[nH]c2ccccc12)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.46

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
SCHEMBL7130191 0.85 TACR1 (0.44) TACR1
SCHEMBL7127340 0.81 TACR1 (0.66) TACR1
SCHEMBL7122742 0.81 TACR1 (0.45) TACR1
Hydrochloric Acid SCHEMBL8147368 0.75 TACR1 (0.47) TACR1
Hydrochloric Acid SCHEMBL8140976 0.74 TACR1 (0.49) TACR1
SCHEMBL7650068 0.70 TACR1 (0.47) TACR1
SCHEMBL7824405 0.70 TACR1 (0.70) TACR1
SCHEMBL8478957 0.69 TACR1 (0.65) TACR1
SCHEMBL7823721 0.69 TACR1 (0.65) TACR1
SCHEMBL8480232 0.68 TACR1 (0.66) 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-1176144-B1 N-triazolylmethyl-piperazine derivatives as neurokinine receptor-antagonists SOLVAY PHARM GMBH (DE) 2003-07-09 EP disclosed
US-6407106-B1 FOR THERAPY OF INFLAMMATORY DISTURBANCES OF THE GASTROINTESTINAL TRACT SOLVAY PHARMACEUTICALS GMBH (DE) 2002-06-18 US disclosed
EP-1176144-A1 N-triazolylmethyl-piperazine derivatives as neurokinine receptor-antagonists Solvay Pharmaceuticals GmbH (DE) 2002-01-30 EP disclosed