SCHEMBL8558385

SCHEMBL8558385

CS(=O)(=O)[N+]1(NC(=O)C(CNCc2ccccc2)NCc2ccccc2)CC2(CCNCC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.40
ATM Q13315 1/20 0.32

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
SCHEMBL8559375 0.92 TACR1 (0.51) TACR1
SCHEMBL8559971 0.88 TACR1 (0.40) TACR1ATM
SCHEMBL8562658 0.87 TACR1 (0.47) TACR1
SCHEMBL8563510 0.83 TACR1 (0.44) TACR1
SCHEMBL8559103 0.83 TACR1 (0.51) TACR1
SCHEMBL8567917 0.83 TACR1 (0.51) TACR1
SCHEMBL8562925 0.83 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL8560263 0.83 TACR1 (0.50) TACR1
SCHEMBL8565455 0.83 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL8625895 0.83 TACR1 (0.43) 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-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
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