SCHEMBL23783602

SCHEMBL23783602

CNCNC1CCCCC1NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
OGA O60502 1/20 0.35
SSTR3 P32745 3/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
EPHX1 P07099 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL282958 0.83 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL283284 0.83 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL282957 0.83 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20999123 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21282785 0.79 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14559367 0.79 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16748036 0.78 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21451335 0.78 SSTR3 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14559365 0.75 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14723906 0.74 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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-3875458-A1 DIPHENYL-LIKE COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USES THEREOF Shanghai Maxinovel Pharmaceuticals Co., Ltd. (CN) 2021-09-08 EP disclosed