SCHEMBL7417169

SCHEMBL7417169

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@@H](CCBr)C1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.80

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
SCHEMBL7417164 1.00 TACR1 (0.80) TACR1
SCHEMBL7417854 0.91 TACR1 (0.78) TACR1
SCHEMBL7421143 0.91 TACR1 (0.78) TACR1
SCHEMBL7415823 0.91 TACR1 (0.85) TACR1
SCHEMBL7415817 0.91 TACR1 (0.85) TACR1
SCHEMBL7387898 0.89 TACR1 (1.00) TACR1
SCHEMBL7387900 0.89 TACR1 (1.00) TACR1
SCHEMBL7420545 0.89 TACR1 (0.74) TACR1
SCHEMBL7421748 0.85 TACR1 (0.72) TACR1
SCHEMBL7472974 0.85 TACR1 (0.72) 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