SCHEMBL8558441

SCHEMBL8558441

CS(=O)(=O)[N+]1(NC(=O)C(CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)NCc2ccccc2)CC2(CCNCC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.52

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
SCHEMBL8559103 0.90 TACR1 (0.51) TACR1
SCHEMBL8559375 0.89 TACR1 (0.51) TACR1
SCHEMBL8559552 0.88 TACR1 (0.52) TACR1
SCHEMBL8557602 0.88 TACR1 (0.52) TACR1
SCHEMBL8558928 0.88 TACR1 (0.52) TACR1
Hydrochloric Acid SCHEMBL8564708 0.87 TACR1 (0.52) TACR1
SCHEMBL8558276 0.87 TACR1 (0.53) TACR1
Hydrochloric Acid SCHEMBL8557754 0.86 TACR1 (0.52) TACR1
SCHEMBL8559908 0.86 TACR1 (0.52) TACR1
SCHEMBL8563795 0.86 TACR1 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811431-A Spiro-substituted azacyclic derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 1998-09-22 US disclosed
EP-0775140-A1 SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1997-05-28 EP disclosed
WO-1996005203-A1 SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1996-02-22 WO disclosed