SCHEMBL8935249

SCHEMBL8935249

CC(c1ccc(Cc2ccccc2)cc1)C(CN)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 4/20 0.47
PLA2G2A P14555 4/20 0.47
LMNA P02545 1/20 0.44
EPHX1 P07099 4/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
LTA4H P09960 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MME P08473 3/20 0.39
SLC22A2 O15244 1/20 0.39
F7 P08709 1/20 0.39
PLA2G1B P04054 1/20 0.38
PLA2G5 P39877 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
PLA2G12B Q9BX93 1/20 0.38
PLA2G12A Q9BZM1 1/20 0.38
PLA2G2F Q9BZM2 1/20 0.38
PLA2G3 Q9NZ20 1/20 0.38
PLA2G2E Q9NZK7 1/20 0.38

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
SCHEMBL23699060 0.75 MME (0.51) MME
SCHEMBL4984168 0.75 MME (0.51) MME
SCHEMBL4990065 0.73 ALDH1A1 (0.47) LMNAMME
SCHEMBL20072245 0.73 TAAR1 (0.49) EPHX1MME
SCHEMBL7402142 0.73 ACACB (0.50) PLA2G10PLA2G2ALMNAEPHX1ACACB
SCHEMBL28402070 0.72 MME (0.46) MME
SCHEMBL5607432 0.72 CYP2C19 (0.46) LMNAEPHX1MME
SCHEMBL31240124 0.72 PTGS2 (0.65) LMNAKEAP1NFE2L2
SCHEMBL9114516 0.72 PLA2G10 (0.46) PLA2G10PLA2G2ALMNAEPHX1ACACB
SCHEMBL7403760 0.71 CYP1A2 (0.53) PLA2G10PLA2G2ALMNAEPHX1LTA4H

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed
EP-0400495-A1 N-phenylalkyl substituted alfa-amino carboxamide derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-05 EP disclosed