SCHEMBL8559418

SCHEMBL8559418

CS(=O)(=O)[N+]1(NC(=O)C(COCc2ccc(Cl)cc2)NCc2ccc(Cl)c(Cl)c2)CC2(CCNCC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.53

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
Hydrochloric Acid SCHEMBL8565255 0.99 TACR1 (0.52) TACR1
SCHEMBL8559908 0.96 TACR1 (0.52) TACR1
SCHEMBL8558034 0.96 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL8561831 0.96 TACR1 (0.52) TACR1
SCHEMBL8562127 0.94 TACR1 (0.54) TACR1
SCHEMBL8557602 0.94 TACR1 (0.52) TACR1
Hydrochloric Acid SCHEMBL8562556 0.93 TACR1 (0.54) TACR1
Hydrochloric Acid SCHEMBL8564708 0.93 TACR1 (0.52) TACR1
SCHEMBL8567917 0.93 TACR1 (0.51) TACR1
SCHEMBL8562925 0.93 TACR1 (0.51) 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
EP-0775140-A1 SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1997-05-28 EP claimed
WO-1996005203-A1 SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1996-02-22 WO claimed
US-5811431-A Spiro-substituted azacyclic derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 1998-09-22 US disclosed