SCHEMBL8500522

SCHEMBL8500522

CC(=O)N[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@H](Cc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.64
TACR3 P29371 2/20 0.49

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
SCHEMBL8500519 1.00 TACR1 (0.64) TACR1TACR3
SCHEMBL8501936 0.90 TACR1 (0.69) TACR1TACR3
SCHEMBL8501940 0.90 TACR1 (0.69) TACR1TACR3
SCHEMBL7610228 0.86 TACR1 (0.64) TACR1TACR3
SCHEMBL7610235 0.86 TACR1 (0.64) TACR1TACR3
SCHEMBL8924656 0.85 TACR1 (0.58) TACR1TACR3
SCHEMBL8924649 0.85 TACR1 (0.58) TACR1TACR3
SCHEMBL7620641 0.84 TACR1 (0.69) TACR1TACR3
SCHEMBL7620635 0.84 TACR1 (0.69) TACR1TACR3
SCHEMBL7614464 0.83 TACR1 (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935951-A ANTAGONIST AGAINST SUBSTANCE P NOVARTIS FINANCE CORPORATION (US) 1999-08-10 US claimed
EP-0532456-B1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA GEIGY AG (CH) 1995-03-29 EP disclosed
EP-0532456-A1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed