SCHEMBL14342121

SCHEMBL14342121

Bc1ccccc1CN(C)CCCN

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
CARM1 Q86X55 7/20 0.44
PRMT6 Q96LA8 2/20 0.44
PRMT8 Q9NR22 2/20 0.44
PRMT3 O60678 1/20 0.43
PRMT1 Q99873 5/20 0.40
ACHE P22303 4/20 0.38
BCHE P06276 1/20 0.38
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL31687466 0.79 ACHE (0.57) CHRM2CARM1PRMT6PRMT8PRMT3
SCHEMBL2118773 0.77 LIPG (0.44) CHRM2CARM1PRMT6PRMT8PRMT3
SCHEMBL2108172 0.74 CARM1 (0.78) CARM1PRMT6PRMT8ACHESIGMAR1
SCHEMBL17384909 0.73 SLC6A4 (0.47)
Hydrochloric Acid SCHEMBL18730544 0.73 CARM1 (0.75) CARM1PRMT6PRMT8ACHESIGMAR1
Water SCHEMBL27915648 0.71 SLC6A4 (0.46)
SCHEMBL13706633 0.71 CHRM2 (0.82) CHRM2ACHEBCHE
SCHEMBL11455232 0.69 CARM1 (0.58) CHRM2CARM1PRMT6PRMT8PRMT3
SCHEMBL4604745 0.69 CARM1 (0.75) CHRM2CARM1PRMT6PRMT8ACHE
SCHEMBL7132154 0.68 CHRM2 (0.56) CHRM2ACHEBCHESIGMAR1

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
EP-1864968-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME Japan Science and Technology Agency (JP) 2007-12-12 EP disclosed