SCHEMBL7416356

SCHEMBL7416356

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(C(=O)NCCN(CC(N)=O)C(=O)OCc2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.70

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
SCHEMBL7421855 1.00 TACR1 (0.70) TACR1
SCHEMBL7415599 0.94 TACR1 (0.73) TACR1
SCHEMBL7420605 0.94 TACR1 (0.73) TACR1
SCHEMBL7417139 0.94 TACR1 (0.80) TACR1
SCHEMBL8913784 0.87 TACR1 (0.90) TACR1
SCHEMBL3515772 0.83 TACR1 (1.00) TACR1
SCHEMBL3516868 0.83 TACR1 (1.00) TACR1
SCHEMBL7385203 0.83 TACR1 (1.00) TACR1
SCHEMBL7386057 0.83 TACR1 (1.00) TACR1
SCHEMBL7421702 0.83 TACR1 (0.69) 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 1 patent. 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 disclosed