SCHEMBL8807140

SCHEMBL8807140

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
TACR1 P25103 14/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
FPR2 P25090 1/20 0.34
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL8557846 0.89 TACR1 (0.43) TACR1
SCHEMBL8806614 0.89 TACR1 (0.42) TACR1
SCHEMBL8562444 0.89 TACR1 (0.41) TAOK1TAOK3TACR1LMNAMAPT
SCHEMBL8812887 0.88 TACR1 (0.42) TACR1
SCHEMBL8563071 0.85 TACR1 (0.52) TACR1
SCHEMBL8561970 0.84 TACR1 (0.38) TACR1
Hydrochloric Acid SCHEMBL8565628 0.84 TACR1 (0.51) TACR1
SCHEMBL8562658 0.84 TACR1 (0.47) TACR1
SCHEMBL8807964 0.84 TACR1 (0.41) TACR1
SCHEMBL8563364 0.83 TACR1 (0.47) 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 2 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 disclosed
WO-1996005203-A1 SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1996-02-22 WO disclosed