SCHEMBL28039381

SCHEMBL28039381

[CH2]CNc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
CHRM3 P20309 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GCGR P47871 1/20 0.38
NPY1R P25929 2/20 0.38
NPY2R P49146 2/20 0.38
MAPT P10636 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL28039342 0.84 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL28039640 0.81 ALDH1A1 (0.40) SLC6A3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL28823485 0.81 QPCT (0.48) SLC6A4SLC6A3PTGS2PTGS1CHRM3
SCHEMBL9196333 0.81 SLC6A4 (0.44) TDP1CYP1A2SLC6A4SLC6A3PTGS2
SCHEMBL28039420 0.81 CHRM1 (0.45) TDP1CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL28039374 0.77 DPP4 (0.42) CHRM3ALDH1A1MAPTIDO1LMNA
SCHEMBL27976354 0.76 CYP1A2 (0.46) TDP1CYP1A2SLC6A4SLC6A3PTGS2
SCHEMBL11341385 0.76 ALDH1A1 (0.52) TDP1SLC6A4SLC6A3CHRM3CHRM2
SCHEMBL24947167 0.75 CYP1A2 (0.56) TDP1CYP1A2SLC6A4SLC6A3PTGS2
SCHEMBL1134846 0.75 F10 (0.48) TDP1CYP1A2SLC6A4SLC6A3PTGS2

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
CN-105017312-A Preparation method of beta-aminoethyl phosphono derivative UNIV SOOCHOW 2015-11-04 CN disclosed