SCHEMBL7864902

SCHEMBL7864902

Cc1cc(C)cc(C(=O)N2CC[C@H](O)C[C@H]2Cc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.71
TACR3 P29371 2/20 0.58

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
SCHEMBL7864826 1.00 TACR1 (0.71) TACR1TACR3
SCHEMBL7864829 1.00 TACR1 (0.71) TACR1TACR3
SCHEMBL7682748 0.89 TACR1 (0.64) TACR1TACR3
SCHEMBL7682751 0.89 TACR1 (0.64) TACR1TACR3
SCHEMBL7688252 0.89 TACR1 (0.64) TACR1TACR3
SCHEMBL8923727 0.87 TACR1 (0.71) TACR1TACR3
SCHEMBL7862635 0.87 TACR1 (0.71) TACR1TACR3
SCHEMBL8502429 0.87 TACR1 (0.71) TACR1TACR3
SCHEMBL8925793 0.87 TACR1 (0.71) TACR1TACR3
SCHEMBL7862639 0.87 TACR1 (0.71) TACR1TACR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869955-B1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed
US-6110939-A AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-29 US disclosed
EP-0869955-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-14 EP disclosed
WO-1997024350-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 WO disclosed