SCHEMBL4655438

SCHEMBL4655438

Cc1cc(NC(=O)CN2CCOCC2)nn1-c1ccc(Cl)cc1Cl.O=C(CN1CCOCC1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
CLK1 P49759 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
USP2 O75604 2/20 0.43
MAPK1 P28482 2/20 0.43
CNR2 P34972 2/20 0.43
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ENPP2 Q13822 1/20 0.42
EGFR P00533 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
CNR1 P21554 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4655475 0.93 SIGMAR1 (0.56) SIGMAR1MEN1KMT2APOLBADORA2A
SCHEMBL1356527 0.93 SIGMAR1 (0.55) SIGMAR1MEN1KMT2APOLBCLK1
SCHEMBL1356504 0.92 SIGMAR1 (0.54) SIGMAR1MEN1KMT2APOLBCLK1
SCHEMBL4655482 0.85 SIGMAR1 (0.51) SIGMAR1MEN1KMT2APOLBADORA2A
SCHEMBL1356509 0.85 ALDH1A1 (0.56) SIGMAR1MEN1KMT2APOLBADORA2A
SCHEMBL4655437 0.84 SIGMAR1 (0.44) SIGMAR1MEN1KMT2AMAPTCNR2
SCHEMBL1354905 0.84 ALDH1A1 (0.58) SIGMAR1MEN1KMT2APOLBADORA2A
SCHEMBL1356512 0.83 SIGMAR1 (0.66) SIGMAR1MEN1KMT2APOLBALDH1A1
SCHEMBL1357071 0.82 SIGMAR1 (0.68) SIGMAR1MEN1KMT2APOLBALDH1A1
SCHEMBL4655473 0.78 CNR1 (0.41) MEN1KMT2AMAPTCNR2NPSR1

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
EP-1994008-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR Laboratorios del Dr. Esteve S.A. (ES) 2008-11-26 EP claimed
WO-2007098967-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-09-07 WO claimed
EP-1994008-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR Laboratorios del Dr. Esteve S.A. (ES) 2008-11-26 EP disclosed
WO-2007098967-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-09-07 WO disclosed