SCHEMBL9517449

SCHEMBL9517449

NC(=O)CCNCc1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.64
MAOB P27338 4/20 0.58
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
MAOA P21397 1/20 0.55
ALOX5 P09917 1/20 0.54
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
BCHE P06276 1/20 0.51

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
SCHEMBL962597 0.88 GID4 (0.73) GID4MAOBRXRARXRBRXRG
Hydrochloric Acid SCHEMBL9127887 0.87 GID4 (0.71) GID4MAOBRXRARXRBRXRG
SCHEMBL16839904 0.84 GID4 (0.59) GID4MAOBRXRARXRBRXRG
SCHEMBL5415624 0.83 MAOB (0.61) MAOBMAOA
SCHEMBL7396470 0.81 GID4 (0.78) GID4MAOBRXRARXRBRXRG
SCHEMBL69355 0.81 MAOB (0.60) GID4MAOBRXRARXRBRXRG
SCHEMBL8434242 0.81 GID4 (0.60) GID4MAOBRXRARXRBRXRG
SCHEMBL8935322 0.80 GID4 (0.71) GID4MAOBRXRARXRBRXRG
SCHEMBL8935243 0.79 GID4 (0.74) GID4MAOBRXRARXRBRXRG
SCHEMBL7401139 0.79 GID4 (0.77) GID4MAOBRXRARXRBRXRG

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
EP-0400495-B1 N-phenylalkyl substituted alpha-amino carboxamide derivatives and process for their preparation. ERBA CARLO SPA (IT) 1993-11-03 EP disclosed