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SCHEMBL9318581

SCHEMBL9318581

Cc1cc(Br)cc(COC(c2ccccc2)(c2ccccc2)C(N)COC(=O)C(=O)OCC(N)C(OCc2cc(C)cc(Br)c2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 16/20 0.50
▸ EDNRB P24530 2/20 0.35
▸ EDNRA P25101 2/20 0.35
▸ CACNA1F O60840 1/20 0.35
▸ CACNA1D Q01668 1/20 0.35
▸ CACNA1S Q13698 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL9317600 0.80 TACR1 (0.50) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9319589 0.75 TACR1 (0.44) TACR1EDNRBEDNRACACNA1FCACNA1D
SCHEMBL9317643 0.73 TACR1 (0.46) TACR1EDNRBEDNRACACNA1FCACNA1D
SCHEMBL9317800 0.73 RAB9A (0.48) KMT2A
SCHEMBL9317616 0.73 TACR1 (0.39) TACR1EDNRBEDNRACACNA1FCACNA1D
SCHEMBL9318578 0.72 TACR1 (0.41) TACR1EDNRBEDNRACACNA1FCACNA1D
SCHEMBL8460283 0.72 TACR1 (0.50) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9318181 0.72 TACR1 (0.41) TACR1
SCHEMBL9317530 0.72 TACR1 (0.38) TACR1EDNRBEDNRACACNA1FCACNA1D
SCHEMBL9318574 0.70 TACR1 (0.47) TACR1EDNRBEDNRAKMT2A

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
EP-0593557-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. MERCK SHARP & DOHME (GB) 1994-04-27 — — EP disclosed