SCHEMBL8558643

SCHEMBL8558643

CS(=O)(=O)[N+]1(NC(=O)C(COCc2ccccc2)NCc2ccc3ccccc3c2)CC2(CCNCC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.43

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 SCHEMBL8562659 0.99 TACR1 (0.42) TACR1
SCHEMBL8563780 0.97 TACR1 (0.42) TACR1
SCHEMBL8562658 0.93 TACR1 (0.47) TACR1
SCHEMBL8564018 0.91 TACR1 (0.53) TACR1
SCHEMBL8559908 0.91 TACR1 (0.52) TACR1
SCHEMBL8565455 0.91 TACR1 (0.51) TACR1
SCHEMBL8561643 0.91 TACR1 (0.51) TACR1
SCHEMBL8557846 0.90 TACR1 (0.43) TACR1
Hydrochloric Acid SCHEMBL8561831 0.90 TACR1 (0.52) TACR1
SCHEMBL8564768 0.90 TACR1 (0.52) 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