SCHEMBL2337547

SCHEMBL2337547

CCCCCCC(NC(=O)O)c1nc(C2CCCCC2)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TACR3 P29371 1/20 0.34
FPR1 P21462 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
JAK3 P52333 3/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
HDAC1 Q13547 2/20 0.33
RORC P51449 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
KMT2A Q03164 1/20 0.32
NAAA Q02083 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL1928938 0.86 HDAC4 (0.40) ALDH1A1L3MBTL1HDAC1KMT2A
SCHEMBL1929929 0.83 EPHX1 (0.32) CCR2EPHX1EPHX2CNR1CNR2
Ammonia Solution, Strong SCHEMBL1926412 0.79 CNR1 (0.33) CCR2EPHX2CNR1CNR2
SCHEMBL1927519 0.78 CNR1 (0.34) CCR2EPHX2CNR1CNR2
SCHEMBL5435446 0.77 CNR1 (0.32) CCR2CNR1CNR2NAAA
SCHEMBL2343442 0.76 TACR3 (0.49) ALDH1A1TACR3HDAC1CNR2HDAC3
SCHEMBL2343441 0.76 TACR3 (0.49) ALDH1A1TACR3HDAC1CNR2HDAC3
SCHEMBL2345559 0.76 TACR3 (0.41) ALDH1A1TACR3L3MBTL1HDAC1CNR1
SCHEMBL2345555 0.76 TACR3 (0.41) ALDH1A1TACR3L3MBTL1HDAC1CNR1
SCHEMBL2348843 0.75 TACR3 (0.47) ALDH1A1TACR3CNR2

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-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-1589007-A2 5-membered heterocycle derivatives, production thereof and their use as medicaments Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2005-10-26 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
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 disclosed
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 disclosed