SCHEMBL9024685

SCHEMBL9024685

O=C(ON1CCCC(OCc2ccccc2)C1c1ccccc1)C(=O)ON1CCCC(OCc2ccccc2)C1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.53
PRKG1 Q13976 3/20 0.50

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
SCHEMBL9023732 0.86 TACR1 (0.61) TACR1PRKG1
Oxalic Acid SCHEMBL9024694 0.70 TACR1 (0.62) TACR1
Oxalic Acid SCHEMBL9024675 0.70 TACR1 (0.62) TACR1
Oxalic Acid SCHEMBL9024687 0.70 TACR1 (0.62) TACR1
SCHEMBL9024304 0.70 TACR1 (1.00) TACR1
SCHEMBL8138471 0.69 CTSL (0.44) TACR1PRKG1
SCHEMBL8137610 0.69 CTSL (0.44) TACR1PRKG1
SCHEMBL21359781 0.69 PSEN1 (0.53) TACR1
SCHEMBL20995912 0.69 PSEN1 (0.53) TACR1
SCHEMBL24335872 0.69 PSEN1 (0.45) 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 5 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
EP-0600952-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. MERCK SHARP & DOHME (GB) 1994-06-15 EP 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