Sugi Predict

Sugi Predict / Compounds / SCHEMBL9024730

SCHEMBL9024730

SCHEMBL9024730

CC1(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN(OC(=O)C(=O)ON2CCCC(C)(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2c2ccccc2)C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.46
▸ SLC6A4 P31645 2/20 0.42

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
Oxalic Acid SCHEMBL9024728 0.74 TACR1 (0.49) TACR1SLC6A4
SCHEMBL9024291 0.72 TACR1 (0.54) TACR1SLC6A4
SCHEMBL8702818 0.66 TACR1 (0.45) TACR1
SCHEMBL9023732 0.65 TACR1 (0.61) TACR1
SCHEMBL4089851 0.65 TACR1 (0.55) TACR1
SCHEMBL9371293 0.64 TACR1 (0.47) TACR1SLC6A4
SCHEMBL9366915 0.63 TACR1 (1.00) TACR1
SCHEMBL9024304 0.63 TACR1 (1.00) TACR1
SCHEMBL5269321 0.63 TACR1 (0.51) TACR1SLC6A4
SCHEMBL9371284 0.63 TACR1 (0.51) TACR1SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600952-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME (GB) 1996-04-17 — — EP disclosed
US-5459270-A Tachykinin antagonist for central nervous systum disorders and cardiovascular disorders MERCK SHARP & DOHME LIMITED (GB) 1995-10-17 — — US disclosed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 — — WO disclosed
EP-0528495-A1 Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them MERCK SHARP & DOHME LTD. (GB) 1993-02-24 — — EP disclosed