SCHEMBL11062029

SCHEMBL11062029

O=C1CCc2cc(OCCCCC(=O)N3CCC(c4ccccc4)CC3)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.55
MAOB P27338 8/20 0.55
PDE3B Q13370 3/20 0.52
PDE3A Q14432 3/20 0.52
KDM1A O60341 1/20 0.52
ALDH1A2 O94788 2/20 0.49
DRD2 P14416 4/20 0.49
HTR2A P28223 3/20 0.49
HTR1A P08908 2/20 0.49
HTR2C P28335 2/20 0.49
SLC6A4 P31645 2/20 0.49
HTR7 P34969 2/20 0.49
DRD3 P35462 2/20 0.49
DRD4 P21917 1/20 0.49
MEN1 O00255 1/20 0.46
ABCC4 O15439 1/20 0.46
CACNA1F O60840 1/20 0.46
ABCB11 O95342 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL11064423 0.97 MAOA (0.56) MAOAMAOBPDE3BPDE3AKDM1A
SCHEMBL11062067 0.85 DRD2 (0.64) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11063106 0.84 MAOA (0.61) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11062872 0.84 KDM1A (0.66) MAOAMAOBKDM1ADRD2HTR2A
SCHEMBL11064667 0.83 MAOA (0.63) MAOAMAOBPDE3BPDE3AKDM1A
SCHEMBL11065270 0.83 MAOA (0.65) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11068252 0.82 DRD2 (0.62) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11067768 0.82 PDE3B (0.63) MAOAMAOBPDE3BPDE3AALDH1A2
SCHEMBL11062211 0.81 PDE3B (0.58) MAOAMAOBPDE3BPDE3AMEN1
SCHEMBL11058875 0.81 MAOA (0.65) MAOAMAOBPDE3BPDE3ADRD2

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