SCHEMBL11223017

SCHEMBL11223017

CCNc1ccc(C(N)c2ccc(NCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
CA12 O43570 1/20 0.32

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
SCHEMBL17517932 0.86 ADRA2A (0.47) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL20969747 0.84 ADRB2 (0.46) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL13479564 0.83 SLC6A4 (0.52) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL2492871 0.81 MAPT (0.47) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL526383 0.80 MAPT (0.58) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL29225756 0.79 ADRB2 (0.42) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL29225758 0.79 ADRB2 (0.42) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL1800842 0.79 MAPT (0.45) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL9320385 0.79 MAPT (0.50) ADRA2AADRA2BADRA2CMAPTLMNA
Hydrochloric Acid SCHEMBL1923122 0.77 MAPT (0.44) ADRA2AADRA2BADRA2CMAPTLMNA

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-4349454-A ENCAPSULATION OF A HYDROPHOBIC-SOLVENT SOLUTION OF A DIAMINODIARYL METHANE SULFONE DERIVATIVE KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1982-09-14 US disclosed