SCHEMBL6603831

SCHEMBL6603831

COC(=O)CCCCCOc1ccc2nc(-c3ccc(OC)cc3)n(CCCN(C)C(=O)C(C)(C)C)c2c1.COC(=O)CCCCCOc1ccc2nc(-c3ccc(OC)cc3)n(CCCN(C)C(=O)CCSC)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.41
PDE3A Q14432 7/20 0.41
P2RY12 Q9H244 6/20 0.41
PDE2A O00408 2/20 0.41
MC4R P32245 1/20 0.39
DYRK1A Q13627 4/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIN1 Q13526 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6482617 0.96 PDE3B (0.44) PDE3BPDE3AP2RY12PDE2AMC4R
SCHEMBL6484562 0.93 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2AMC4R
SCHEMBL6602693 0.91 MC4R (0.41) PDE3BPDE3AP2RY12PDE2AMC4R
SCHEMBL6481661 0.87 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2AMC4R
SCHEMBL6475124 0.87 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2AMC4R
SCHEMBL6482732 0.86 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2AMC4R
SCHEMBL6482865 0.85 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AMC4R
SCHEMBL6482045 0.83 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2AMC4R
SCHEMBL6484684 0.81 DRD3 (0.56) PDE3BPDE3AP2RY12PDE2AMC4R
SCHEMBL6605326 0.81 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2AMC4R

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-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