SCHEMBL21865620

SCHEMBL21865620

CCN(CCN(C)c1cc(Cl)ccc1CN)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.41
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
IDO1 P14902 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 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
SCHEMBL21865636 0.90 PSEN1 (0.45) AHCYPSEN1PSEN2APH1BNCSTN
SCHEMBL21865761 0.90 AHCY (0.40) AHCYPSEN1PSEN2APH1BNCSTN
SCHEMBL21865614 0.82 PSEN1 (0.43) AHCYPSEN1PSEN2APH1BNCSTN
SCHEMBL21865619 0.81 AHCY (0.40) AHCYHCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL21865632 0.80 PSEN1 (0.45) AHCYPSEN1PSEN2APH1BNCSTN
SCHEMBL21865673 0.79 AHCY (0.40) AHCYIDO1HPGDSMN1; SMN2ALDH1A1
SCHEMBL21865385 0.77 AHCY (0.40) AHCYPSEN1PSEN2APH1BNCSTN
SCHEMBL21865383 0.76 AHCY (0.41) AHCYPSEN1PSEN2APH1BNCSTN
SCHEMBL21865570 0.74 AHCY (0.40) AHCYHPGDNPC1TSHRRAB9A
SCHEMBL23368542 0.74 HSD17B10 (0.38) AHCYHPGDHCRTR1HCRTR2ALDH1A1

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
WO-2020052509-A1 SULFONAMIDE COMPOUND SERVING AS SODIUM CHANNEL BLOCKER AND USES THEREOF 成都康弘药业集团股份有限公司 2020-03-19 WO disclosed