SCHEMBL29208570

SCHEMBL29208570

CC(CCN(C)C)C(=O)I

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPT P10636 1/20 0.32
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
USP2 O75604 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30

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
SCHEMBL5790691 0.78 CHRNB2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL6824546 0.78 USP2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL847328 0.78 GABRR1 (0.52) HTR2AHRH1GABRR1CYP1A2
SCHEMBL1672355 0.78 GABRR1 (0.52) HTR2AHRH1GABRR1CYP1A2
SCHEMBL23771209 0.76 CHRNB2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL7508980 0.76 CHRNB2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL29208574 0.76 ALDH1A1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL29208567 0.76 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL26730659 0.76 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRNB2
Hydrochloric Acid SCHEMBL21197508 0.74 CHRNB2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRNB2

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
CN-117700418-A Phthalocyanine compound, preparation and application thereof 上海大学 2024-03-15 CN claimed
CN-117700418-A Phthalocyanine compound, preparation and application thereof 上海大学 2024-03-15 CN disclosed