SCHEMBL6484584

SCHEMBL6484584

COCCCNC(=O)CCCCCOc1ccc2nc(-c3ccc(N(C)C)cc3)n(CCCOC)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
SIRT2 Q8IXJ6 2/20 0.44
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
PIN1 Q13526 3/20 0.41
SIRT1 Q96EB6 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
PDE2A O00408 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40

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
SCHEMBL6484591 0.91 MTNR1A (0.49) MEN1HPGDKMT2AMAPTTP53
SCHEMBL6476748 0.91 MAPT (0.47) MEN1HPGDKMT2AMAPTTP53
SCHEMBL6486842 0.91 PDE3B (0.47) HDAC1SIRT2PIN1SIRT1DRD2
SCHEMBL6474865 0.90 GRIN2B (0.45) HDAC1MEN1HPGDKMT2AMAPT
SCHEMBL6602080 0.90 SIRT2 (0.46) HDAC1SIRT2PIN1SIRT1DRD2
SCHEMBL6475812 0.89 PIN1 (0.54) MEN1HPGDKMT2AMAPTTP53
SCHEMBL6476675 0.88 PIN1 (0.46) MEN1HPGDKMT2AMAPTTP53
SCHEMBL6475524 0.88 HDAC1 (0.47) HDAC1MEN1HPGDKMT2AMAPT
SCHEMBL6476045 0.88 ABL1 (0.46) HDAC1MEN1HPGDKMT2AMAPT
SCHEMBL6481696 0.87 SMN1; SMN2 (0.45) MEN1HPGDKMT2AMAPTTP53

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
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US claimed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP claimed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO claimed
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US disclosed