SCHEMBL8945045

SCHEMBL8945045

CCCCC1(Cc2ccc(N)cc2)CCC(c2cccc(C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
DRD1 P21728 6/20 0.42
DRD4 P21917 6/20 0.42
DRD5 P21918 6/20 0.42
DRD3 P35462 6/20 0.42
HTR2C P28335 3/20 0.41
HTR1A P08908 5/20 0.34
TRPV6 Q9H1D0 2/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33

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
SCHEMBL8945156 0.97 DRD1 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8945345 0.95 DRD1 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8945256 0.95 DRD1 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8945353 0.95 DRD1 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8945086 0.93 HTR2C (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8945239 0.89 HTR2C (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8945278 0.82 HTR2C (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8945094 0.81 SIGMAR1 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8945326 0.80 KDM1A (0.40) DRD2DRD4HTR2CHTR2AHTR2B
SCHEMBL8945440 0.80 DRD2 (0.44) DRD2DRD1DRD4DRD5DRD3

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-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed