SCHEMBL9303119

SCHEMBL9303119

O=C(NC1CCCCC1)c1cccc(Cn2cnc3ccccc32)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.60
MGLL Q99685 1/20 0.60
HRH3 Q9Y5N1 1/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
IDO1 P14902 6/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL9302839 0.88 HDAC1 (0.67) HRH3KMT2AIDO1HDAC1HDAC6
SCHEMBL1751266 0.84 IDO1 (0.53) HRH3IDO1HDAC1HDAC6ALDH1A1
SCHEMBL2885662 0.81 CYP11B1 (0.67) HRH3IDO1HDAC1HDAC6ALDH1A1
SCHEMBL19421681 0.81 CDK9 (0.46) FAAHMGLLHRH3MEN1KMT2A
SCHEMBL19421686 0.80 CDK9 (0.46) FAAHMGLLHRH3MEN1KMT2A
SCHEMBL7662930 0.77 CYP11B1 (0.58) HRH3IDO1HDAC1HDAC6ALDH1A1
SCHEMBL13085846 0.77 IDO1 (0.64) HRH3IDO1HDAC1HDAC6ALDH1A1
SCHEMBL19421697 0.75 CDK9 (0.44)
SCHEMBL13085754 0.74 HRH3 (0.76) HRH3IDO1HDAC1HDAC6ALDH1A1
SCHEMBL31722842 0.74 CYP11B1 (0.80) MEN1KMT2AIDO1ALDH1A1CYP11B1

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-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed