SCHEMBL8914637

SCHEMBL8914637

CCCCCN(CCCCC)C(=O)C1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(C(=O)O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 1.00

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
SCHEMBL8914640 1.00 TACR1 (1.00) TACR1
SCHEMBL8916030 0.93 TACR1 (1.00) TACR1
SCHEMBL8916033 0.93 TACR1 (1.00) TACR1
SCHEMBL8913531 0.90 TACR1 (0.82) TACR1
SCHEMBL8913611 0.85 TACR1 (1.00) TACR1
SCHEMBL8915332 0.84 TACR1 (0.84) TACR1
SCHEMBL8914398 0.82 TACR1 (1.00) TACR1
SCHEMBL3514906 0.80 TACR1 (1.00) TACR1
SCHEMBL7381538 0.80 TACR1 (1.00) TACR1
SCHEMBL8913607 0.78 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
WO-1995022525-A1 N-ACYLPIPERIDINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1995-08-24 WO claimed
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