SCHEMBL7415960

SCHEMBL7415960

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(C(=O)NCCCOC)C1

nearest known ligand 0.92

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.92

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
SCHEMBL7423327 0.96 TACR1 (1.00) TACR1
SCHEMBL3515465 0.89 TACR1 (0.91) TACR1
SCHEMBL7382782 0.89 TACR1 (0.91) TACR1
SCHEMBL3517349 0.89 TACR1 (1.00) TACR1
SCHEMBL7381227 0.89 TACR1 (1.00) TACR1
SCHEMBL9222449 0.89 TACR1 (0.96) TACR1
SCHEMBL3514375 0.89 TACR1 (0.96) TACR1
SCHEMBL3516868 0.88 TACR1 (1.00) TACR1
SCHEMBL3515772 0.88 TACR1 (1.00) TACR1
SCHEMBL7385203 0.88 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-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO claimed
US-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed