SCHEMBL6483313

SCHEMBL6483313

COC(=O)CCCCCOc1ccc2nc(-c3ccc(OC)cc3)n(CCCO)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.50
PDE3A Q14432 7/20 0.50
P2RY12 Q9H244 6/20 0.50
PDE2A O00408 2/20 0.50
DYRK1A Q13627 3/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MC4R P32245 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
PIN1 Q13526 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6484254 0.93 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6475324 0.92 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6487561 0.91 DYRK1A (0.49) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6480290 0.90 MC4R (0.51) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6476018 0.89 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6485221 0.88 MC4R (0.58) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6474142 0.88 MC4R (0.52) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6484684 0.88 DRD3 (0.56) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6482865 0.88 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6474588 0.88 MC4R (0.59) 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 3 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