SCHEMBL7565002

SCHEMBL7565002

Cc1ccc2cc3ccccc3nc2c1C(=O)NCCCN(C)CCCNC(=O)c1c(C)ccc2cc3ccccc3nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.52
TMEM97 Q5BJF2 4/20 0.52
SIGMAR1 Q99720 4/20 0.52
OPRK1 P41145 2/20 0.52
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTT P42858 1/20 0.47
RAD52 P43351 3/20 0.43
ACKR3 P25106 3/20 0.43
TP53 P04637 2/20 0.43
AOX1 Q06278 1/20 0.43
UHRF1 Q96T88 1/20 0.42
MAPT P10636 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PKMYT1 Q99640 1/20 0.42
THRB P10828 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8411682 0.91 HDAC1 (0.56) OPRM1TMEM97SIGMAR1OPRK1HDAC1
SCHEMBL8411680 0.86 HDAC1 (0.47) OPRM1TMEM97SIGMAR1OPRK1HDAC1
SCHEMBL7566347 0.82 HDAC1 (0.67) OPRM1TMEM97SIGMAR1OPRK1HDAC1
SCHEMBL7567270 0.81 RAD52 (0.61) OPRM1TMEM97SIGMAR1OPRK1HDAC1
SCHEMBL7567055 0.80 HDAC1 (0.54) OPRM1TMEM97SIGMAR1OPRK1HDAC1
SCHEMBL14440618 0.78 HDAC1 (0.61) OPRM1TMEM97SIGMAR1OPRK1HDAC1
SCHEMBL7565067 0.78 HTT (0.52) OPRM1TMEM97SIGMAR1OPRK1HDAC1
SCHEMBL7572040 0.76 RAD52 (0.53) OPRM1TMEM97SIGMAR1OPRK1HDAC1
SCHEMBL7566327 0.76 TMEM97 (0.62) OPRM1TMEM97SIGMAR1OPRK1HDAC1
SCHEMBL7566482 0.76 AOX1 (0.56) OPRM1TMEM97SIGMAR1OPRK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP claimed
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed