SCHEMBL11468146

SCHEMBL11468146

C=CCN1CC=C(C=Cc2ccccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHAT P28329 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DRD1 P21728 2/20 0.35
GSR P00390 1/20 0.35
DRD5 P21918 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11468144 1.00 ADRA2A (0.46) ADRA2AADRA2BADRA2CCHATDRD2
SCHEMBL11469930 0.81 KDM4E (0.46) CHATKDM4ESMN1; SMN2ALDH1A1DRD1
SCHEMBL11469931 0.81 KDM4E (0.46) CHATKDM4ESMN1; SMN2ALDH1A1DRD1
SCHEMBL11792003 0.76 CHAT (0.64) ADRA2AADRA2BADRA2CCHATALDH1A1
SCHEMBL11791997 0.76 CHAT (0.64) ADRA2AADRA2BADRA2CCHATALDH1A1
SCHEMBL11470364 0.71 ADRA2A (0.46) ADRA2AADRA2BADRA2CDRD2DRD4
SCHEMBL1388074 0.70 DRD4 (0.62) ADRA2AADRA2BADRA2CDRD2DRD4
SCHEMBL8430910 0.68 KDM4E (0.48) KDM4ESMN1; SMN2L3MBTL1
SCHEMBL8430912 0.68 KDM4E (0.48) KDM4ESMN1; SMN2L3MBTL1
SCHEMBL11795510 0.68 SMN1; SMN2 (0.51) CHATKDM4ESMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4208415-A PROSTAGLANDIN POTENTIATORS, 15-A-HYDROXYPROSTAGLANDIN DEHYDROGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1980-06-17 US claimed
US-4208415-A PROSTAGLANDIN POTENTIATORS, 15-A-HYDROXYPROSTAGLANDIN DEHYDROGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1980-06-17 US disclosed