SCHEMBL8913488

SCHEMBL8913488

COC(=O)C1CC(C(=O)O)CCN1C(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.56
AGTR2 P50052 2/20 0.51

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
SCHEMBL8913490 0.94 TACR1 (0.60) TACR1AGTR2
SCHEMBL8914059 0.92 TACR1 (0.61) TACR1AGTR2
SCHEMBL8915024 0.90 TACR1 (0.62) TACR1AGTR2
SCHEMBL8914615 0.86 TACR1 (0.60) TACR1AGTR2
SCHEMBL8913484 0.82 TACR1 (0.67) TACR1AGTR2
SCHEMBL8913531 0.82 TACR1 (0.82) TACR1
SCHEMBL8915332 0.77 TACR1 (0.84) TACR1
SCHEMBL8915880 0.75 TACR1 (0.89) TACR1
SCHEMBL8914640 0.72 TACR1 (1.00) TACR1
SCHEMBL8914637 0.72 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610165-A N-acylpiperidine tachykinin antagonists MERCK & CO., INC. (US) 1997-03-11 US disclosed
WO-1995022525-A1 N-ACYLPIPERIDINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1995-08-24 WO disclosed