SCHEMBL4655482

SCHEMBL4655482

Cc1cc(NCCN2CCCC2)nn1-c1ccc(Cl)cc1Cl.O=C(CN1CCCCC1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
ENPP2 Q13822 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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 0.92 SIGMAR1 (0.56) SIGMAR1ALDH1A1ATMMEN1KMT2A
SCHEMBL1354905 0.85 ALDH1A1 (0.58) SIGMAR1KCNH2ALDH1A1ATMMEN1
SCHEMBL1357071 0.85 SIGMAR1 (0.68) SIGMAR1KCNH2ALDH1A1ATMMEN1
SCHEMBL4655438 0.85 SIGMAR1 (0.51) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1356509 0.84 ALDH1A1 (0.56) SIGMAR1ALDH1A1ATMMEN1KMT2A
SCHEMBL1357089 0.84 SIGMAR1 (0.61) SIGMAR1KCNH2CNR1CNR2
SCHEMBL1356512 0.84 SIGMAR1 (0.66) SIGMAR1KCNH2ALDH1A1ATMMEN1
SCHEMBL4656770 0.84 SIGMAR1 (0.47) SIGMAR1KCNH2ALDH1A1KMT2ACNR1
SCHEMBL1356880 0.83 SIGMAR1 (0.59) SIGMAR1KCNH2CNR1CNR2
SCHEMBL1355084 0.80 SIGMAR1 (0.70) SIGMAR1KCNH2KMT2A

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
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