SCHEMBL11062040

SCHEMBL11062040

C=CCn1c(=O)ccc2cc(OCCCC(=O)N3CCN(C4CCCCC4)CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.55
PDE3A Q14432 13/20 0.55
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
P2RY12 Q9H244 2/20 0.42
PDE2A O00408 1/20 0.42
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11062043 0.78 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL11061133 0.77 PDE3B (0.51) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL11061345 0.77 PDE3B (0.68) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL7307899 0.74 PDE3B (0.53) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL13635989 0.72 PDE3B (0.57) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL13636473 0.72 PDE3B (0.59) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL7326865 0.71 PDE3B (1.00) PDE3BPDE3AP2RY12PDE2A
SCHEMBL13636151 0.71 PDE3B (0.64) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL11062559 0.70 PDE3B (0.61) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL11063692 0.70 PDE3B (0.61) PDE3BPDE3AKMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed