SCHEMBL4728985

SCHEMBL4728985

CCN(CC)c1ncnc2cc(OC)c(OCCc3ccc4ccccc4n3)cc12

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 7/20 0.52
EGFR P00533 6/20 0.52
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
PDE10A Q9Y233 4/20 0.46
CYP1A2 P05177 2/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ENPP1 P22413 1/20 0.42
KDM1A O60341 2/20 0.41

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
SCHEMBL4725127 0.90 CSF1R (0.51) CSF1REGFRPDGFRBPDGFRAPDE10A
SCHEMBL4728977 0.82 PDE10A (0.47) EGFRPDE10ACYP1A2ENPP1KDM1A
SCHEMBL4728469 0.82 PDE10A (0.47) EGFRPDE10ACYP1A2ENPP1KDM1A
SCHEMBL4725040 0.79 PDE10A (0.44) EGFRPDE10ACYP1A2ENPP1KDM1A
SCHEMBL4726586 0.79 PDE10A (0.44) EGFRPDE10ACYP1A2ENPP1KDM1A
SCHEMBL8261880 0.79 CSF1R (0.64) CSF1REGFRPDGFRBPDGFRAENPP1
SCHEMBL4725054 0.78 ACHE (0.55) PDE10AKDM1A
SCHEMBL4725230 0.78 ACHE (0.55) PDE10AKDM1A
SCHEMBL4779965 0.78 ACHE (0.54) PDGFRBPDE10AKDM1A
Hydrochloric Acid SCHEMBL8518306 0.78 CSF1R (0.65) CSF1REGFRPDGFRBPDGFRAENPP1

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
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO claimed