SCHEMBL8935280

SCHEMBL8935280

CNC(=O)N(Cc1ccc(OCc2ccccc2)cc1)C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
TSPO P30536 1/20 0.46
AGER Q15109 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
SCHEMBL8935254 0.95 ALOX5 (0.54) ALOX5PTGS1PTGS2L3MBTL1KDM4E
SCHEMBL19027674 0.82 OPRM1 (0.50) UBE2MDCUN1D1AGER
SCHEMBL9474361 0.79 ALOX5 (0.72) ALOX5PTGS1PTGS2L3MBTL1SMN1; SMN2
SCHEMBL6633233 0.76 DCUN1D1 (0.60) DCUN1D1AGER
SCHEMBL23200218 0.75 UBE2M (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1RAB9A
SCHEMBL8935282 0.75 ALOX5 (0.50) ALOX5PTGS1PTGS2L3MBTL1KDM4E
SCHEMBL19027677 0.75 OPRM1 (0.54) UBE2MDCUN1D1
SCHEMBL3716947 0.74 HTR2A (0.73) DCUN1D1HRH3HTR2CHTR2B
SCHEMBL9456418 0.73 AGER (0.58) L3MBTL1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL3455018 0.72 MEN1 (0.61) ALOX5KMT2AMEN1

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