SCHEMBL8984787

SCHEMBL8984787

c1ccc2c(c1)CC2C1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
KDM1A O60341 4/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
OPRM1 P35372 3/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL524603 0.72 GPR3 (0.50) HTR2AOPRM1HRH3
SCHEMBL29950614 0.72 GPR3 (0.50) HTR2AOPRM1HRH3
SCHEMBL1892794 0.70 ANPEP (0.44) HTR2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2766554 0.68 HTR2A (0.50) HTR2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29723594 0.68 HTR2A (0.50) HTR2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8343289 0.67 ALOX15 (0.35) HTR2AHTR2CHTR2B
SCHEMBL11328530 0.67 HTR2A (0.50) HTR2AHTR2CHTR2BHRH3
SCHEMBL11869297 0.67 OPRM1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11871020 0.67 OPRM1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14870745 0.67 HTR2A (0.55) HTR2AGRIN1GRIN2B

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-5578737-A SUBSTITUTED FLUORENES, MONOMERS FOR HIGH PERFORMANCE POLYMERS THE DOW CHEMICAL COMPANY (US) 1996-11-26 US disclosed