SCHEMBL8557846

SCHEMBL8557846

COc1ccc(CNC(COCc2ccccc2)C(=O)N[N+]2(S(C)(=O)=O)CC3(CCNCC3)c3ccccc32)cc1OC

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
SCHEMBL8562658 0.91 TACR1 (0.47) TACR1
SCHEMBL8564018 0.91 TACR1 (0.53) TACR1
SCHEMBL8565455 0.91 TACR1 (0.51) TACR1
SCHEMBL8563071 0.90 TACR1 (0.52) TACR1
SCHEMBL8558643 0.90 TACR1 (0.43) TACR1
SCHEMBL8563364 0.90 TACR1 (0.47) TACR1
SCHEMBL8807140 0.89 TAOK1 (0.38) TACR1
SCHEMBL8559908 0.89 TACR1 (0.52) TACR1
Hydrochloric Acid SCHEMBL8565628 0.89 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL8562659 0.89 TACR1 (0.42) 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 1 patent. 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