SCHEMBL7415599

SCHEMBL7415599

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cc(Cl)cc(Cl)c2)[C@H](C(=O)NCCN(CC(N)=O)C(=O)OCc2ccccc2)C1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.73

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
SCHEMBL7420605 1.00 TACR1 (0.73) TACR1
SCHEMBL7417139 0.95 TACR1 (0.80) TACR1
SCHEMBL7416356 0.94 TACR1 (0.70) TACR1
SCHEMBL7421855 0.94 TACR1 (0.70) TACR1
SCHEMBL7421702 0.85 TACR1 (0.69) TACR1
SCHEMBL8913633 0.84 TACR1 (1.00) TACR1
SCHEMBL9309275 0.84 TACR1 (0.69) TACR1
SCHEMBL7425121 0.83 TACR1 (0.73) TACR1
SCHEMBL8913784 0.82 TACR1 (0.90) TACR1
SCHEMBL7422562 0.80 TACR1 (0.77) 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-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