SCHEMBL2348002

SCHEMBL2348002

O=C(O)NCCCCCCc1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.43
HDAC4 P56524 6/20 0.43
HDAC1 Q13547 6/20 0.43
HDAC7 Q8WUI4 6/20 0.43
HDAC2 Q92769 6/20 0.43
HDAC10 Q969S8 6/20 0.43
HDAC11 Q96DB2 6/20 0.43
HDAC8 Q9BY41 6/20 0.43
HDAC6 Q9UBN7 6/20 0.43
HDAC9 Q9UKV0 6/20 0.43
HDAC5 Q9UQL6 6/20 0.43
TRPV1 Q8NER1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.37
HRH2 P25021 2/20 0.37
PTAFR P25105 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL14736459 0.89 CYP3A4 (0.43) LMNACYP3A4
SCHEMBL2338147 0.86 LTA4H (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1929560 0.84 NPSR1 (0.50)
SCHEMBL8320312 0.84 TGM2 (0.52) LMNASMN1; SMN2
SCHEMBL4969435 0.81 HRH2 (0.32) HRH2
SCHEMBL2347037 0.80 MEN1 (0.40) CYP3A4HPGDSMN1; SMN2
SCHEMBL17527113 0.79 KMT2A (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2342304 0.79 LTA4H (0.47) TRPV1
SCHEMBL4037804 0.78 HIF1A (0.43)
SCHEMBL14736755 0.78 MAPK1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228760-A2 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-07 EP claimed
EP-1223933-A2 5-MEMBERED HETEROCYCLE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-24 EP claimed
WO-2001026656-A2 5-MEMBERED HETEROCYCLE DERIVATIVES AND USE THEREOF AS MONOAMINE OXIDASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-04-19 WO claimed
EP-1589007-B1 5-membered heterocycle derivatives, production thereof and their use as medicaments IPSEN PHARMA (FR) 2015-06-03 EP disclosed
EP-1228760-B1 5-membered heterocycle derivatives, production thereof and use thereof as medicaments IPSEN PHARMA (FR) 2011-08-31 EP disclosed
EP-1228760-A2 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-07 EP disclosed