SCHEMBL8935257

SCHEMBL8935257

NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
PARP10 Q53GL7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KCNH2 Q12809 1/20 0.48
MAOB P27338 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
S1PR5 Q9H228 1/20 0.46
TSPO P30536 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8935282 0.95 ALOX5 (0.50) ALOX5PTGS1PTGS2PARP10L3MBTL1
SCHEMBL7283460 0.75 FOXM1 (0.44) ALOX5PTGS1PTGS2L3MBTL1NPC1
SCHEMBL10465707 0.75 ALOX5 (0.58) ALOX5PTGS1PTGS2PARP10L3MBTL1
SCHEMBL1740392 0.75 KDM4E (0.53) ALOX5PTGS1PTGS2PARP10L3MBTL1
SCHEMBL9474556 0.74 ALOX5 (0.74) ALOX5PTGS1PTGS2PARP10L3MBTL1
SCHEMBL7760534 0.74 L3MBTL1 (0.56) ALOX5PTGS1PTGS2PARP10L3MBTL1
SCHEMBL8935254 0.74 ALOX5 (0.54) ALOX5PTGS1PTGS2L3MBTL1NPC1
SCHEMBL7757382 0.74 L3MBTL1 (0.56) ALOX5PTGS1PTGS2PARP10L3MBTL1
SCHEMBL1395785 0.73 PARP10 (0.68) ALOX5PTGS1PTGS2PARP10L3MBTL1
SCHEMBL7402193 0.72 LTA4H (0.64) ALOX5PTGS1PTGS2PARP10L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
EP-0400495-B1 N-phenylalkyl substituted alpha-amino carboxamide derivatives and process for their preparation. ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed