SCHEMBL9320495

SCHEMBL9320495

C(CC1CO1)NCCC1CO1.CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.44
ADRA1D P25100 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9320525 0.91 GRIN1 (0.44) HTR1AADRA1DADRA1AADRA1BGRIN1
SCHEMBL9320293 0.89 GRIN1 (0.46) HTR1AADRA1DADRA1AADRA1BGRIN1
SCHEMBL9319883 0.85 HTR1A (0.48) HTR1AADRA1DADRA1AADRA1BCHRM2
SCHEMBL9321171 0.83 POLB (0.41) HTR1AADRA1DADRA1AADRA1BCHRM2
SCHEMBL6712611 0.78 TDP1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27994199 0.77 TDP1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9322452 0.76 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1BGRIN1
Diphenylmethane SCHEMBL9322376 0.76 MEN1 (0.46) CHRM2CHRM5CHRM3MEN1KMT2A
SCHEMBL9321203 0.75 GRIN1 (0.44) HTR1AADRA1DADRA1AADRA1BGRIN1
SCHEMBL20695779 0.73 MEN1 (0.57) CHRM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336391-B1 Reversibly color-changeable materials TEIJIN LTD (JP) 1994-01-26 EP disclosed
US-5068062-A Crosslinked resin containing 4,4*-diaminodiphenylmethane units with the amine quaternized and an electrolytic material TEIJIN LIMITED (JP) 1991-11-26 US disclosed
EP-0336391-A2 Reversibly color-changeable materials TEIJIN LIMITED (JP) 1989-10-11 EP disclosed