SCHEMBL20809148

SCHEMBL20809148

CCCC1CN(C(=O)N(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
KIF11 P52732 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 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
SCHEMBL24449562 0.85 MAPT (0.51) MAPTGAAHSD17B10MEN1KMT2A
SCHEMBL17816030 0.83 MAPT (0.43) MAPTGAAHSD17B10MEN1KMT2A
SCHEMBL4494836 0.83 MAPT (0.45) MAPTGAAHSD17B10MEN1KMT2A
SCHEMBL21025175 0.82 MAPT (0.40) MAPTGAAHSD17B10MEN1KMT2A
SCHEMBL22060169 0.79 HSD17B10 (0.38) MAPTGAAHSD17B10MEN1KMT2A
SCHEMBL18059328 0.77 CHRNB2 (0.45) MAPTMEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL20082948 0.76 CHRNB2 (0.50) MAPTCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL23338433 0.76 HSD17B10 (0.44) MAPTGAAHSD17B10MEN1KMT2A
SCHEMBL24449477 0.76 MAPT (0.38) MAPTGAAHSD17B10MEN1KMT2A
SCHEMBL24744499 0.75 CHRNB2 (0.53) MAPTMEN1KMT2ACHRNB2CHRNA3

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
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 EP disclosed