SCHEMBL9852665

SCHEMBL9852665

CC1CC2=C(C3c4ccccc4-c4ccccc43)C=C[C]21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.37
NOS2 P35228 2/20 0.37
NOS1 P29475 1/20 0.37
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TYMS P04818 1/20 0.34
HTR2A P28223 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B2 P19099 2/20 0.33
ACHE P22303 1/20 0.33
GPR3 P46089 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NOTUM Q6P988 1/20 0.31
ADRA2C P18825 1/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL9846516 0.65 SLC6A2 (0.33) NOS3NOS2NOS1SLC6A2SLC6A4
SCHEMBL8906349 0.63 HTR2A (0.35) SLC6A2SLC6A4SLC6A3HTR2AACHE
SCHEMBL7157162 0.62 GPR3 (0.34) HTR2AACHEGPR3
Hydrochloric Acid SCHEMBL8905301 0.61 HTR2A (0.33) SLC6A2SLC6A4SLC6A3HTR2ACYP19A1
SCHEMBL8941781 0.61 ACHE (0.59) NOS3NOS2NOS1TYMSHTR2A
SCHEMBL4912027 0.61 MAPT (0.61) HTR2ACYP19A1ACHEGPR3
SCHEMBL6659162 0.60 HTR2A (0.36) HTR2AGPR3
SCHEMBL8366223 0.60 POLB (0.35) HTR2AGPR3
SCHEMBL40599 0.59 GPR3 (0.52) SLC6A2SLC6A4SLC6A3HTR2AACHE
SCHEMBL29641604 0.59 GPR3 (0.52) SLC6A2SLC6A4SLC6A3HTR2AACHE

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
EP-0407870-A2 Process for preparing cycloolefin polymers HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-16 EP disclosed