SCHEMBL4655475

SCHEMBL4655475

Cc1cc(NC(=O)CN2CCCC2)nn1-c1ccc(Cl)cc1Cl.O=C(CN1CCCC1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
ALDH1A1 P00352 5/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.43
ENPP2 Q13822 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4655438 0.93 SIGMAR1 (0.51) SIGMAR1ALDH1A1MEN1KMT2AENPP2
SCHEMBL1356509 0.92 ALDH1A1 (0.56) SIGMAR1ALDH1A1ATMMEN1KMT2A
SCHEMBL4655482 0.92 SIGMAR1 (0.51) SIGMAR1ALDH1A1ATMMEN1KMT2A
SCHEMBL1354905 0.91 ALDH1A1 (0.58) SIGMAR1ALDH1A1ATMMEN1KMT2A
SCHEMBL1356512 0.90 SIGMAR1 (0.66) SIGMAR1ALDH1A1ATMMEN1KMT2A
SCHEMBL1357071 0.89 SIGMAR1 (0.68) SIGMAR1ALDH1A1ATMMEN1KMT2A
SCHEMBL1356527 0.84 SIGMAR1 (0.55) SIGMAR1ALDH1A1ATMMEN1KMT2A
SCHEMBL1356504 0.83 SIGMAR1 (0.54) SIGMAR1ALDH1A1ATMMEN1KMT2A
SCHEMBL4655473 0.83 CNR1 (0.41) MEN1KMT2ANPC1RAB9ACNR1
SCHEMBL1356784 0.79 POLB (0.50) SIGMAR1MEN1KMT2ACNR1LMNA

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 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