SCHEMBL9307683

SCHEMBL9307683

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cc(Cl)cc(Cl)c2)C(C(=O)O)C1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.85

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
SCHEMBL7419560 1.00 TACR1 (0.85) TACR1
SCHEMBL7383952 0.94 TACR1 (0.83) TACR1
SCHEMBL3514054 0.94 TACR1 (0.83) TACR1
SCHEMBL3514906 0.92 TACR1 (1.00) TACR1
SCHEMBL7381538 0.92 TACR1 (1.00) TACR1
SCHEMBL7932680 0.91 TACR1 (0.80) TACR1
SCHEMBL7932679 0.91 TACR1 (0.80) TACR1
SCHEMBL7385826 0.90 TACR1 (0.86) TACR1
SCHEMBL7384697 0.90 TACR1 (0.86) TACR1
SCHEMBL3518039 0.88 TACR1 (0.92) 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
US-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 US disclosed