SCHEMBL6827871

SCHEMBL6827871

COCCN(C)CC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
MVD P53602 1/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC9A5 Q14940 1/20 0.33
GRM2 Q14416 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 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
SCHEMBL12735153 0.84 PIK3CD (0.45) PIK3CDMVDMEN1KMT2ACHRNB2
SCHEMBL12465555 0.80 MVD (0.58) PIK3CDMVDALDH1A1
SCHEMBL15177374 0.80 BLM (0.40) PIK3CDMEN1KMT2ASLC9A5ALDH1A1
SCHEMBL7816889 0.80 BLM (0.35) PIK3CDMEN1KMT2ASLC9A5CHRNB2
SCHEMBL23299365 0.78 PIK3CD (0.43) PIK3CDMVDMEN1KMT2ASLC9A5
SCHEMBL15623091 0.78 MEN1 (0.48) PIK3CDMVDMEN1KMT2A
SCHEMBL18934507 0.78 MVD (0.33) MVD
SCHEMBL19767016 0.78 CA2 (0.31)
SCHEMBL26186736 0.78 CA2 (0.31) PIK3CDMVD
SCHEMBL19767018 0.77

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732138-B2 Deep ultraviolet-excitable water-solvated polymeric dyes BECTON, DICKINSON AND COMPANY (US) 2023-08-22 US disclosed
US-20230235177-A1 Deep Ultraviolet-Excitable Water-Solvated Polymeric Dyes BECTON, DICKINSON AND COMPANY 2023-07-27 US disclosed
US-20190194467-A1 DEEP ULTRAVIOLET-EXCITABLE WATER-SOLVATED POLYMERIC DYES BECTON, DICKINSON AND COMPANY 2019-06-27 US disclosed
US-20180009990-A1 FLUORESCENT WATER-SOLVATED CONJUGATED POLYMERS BECTON, DICKINSON AND COMPANY 2018-01-11 US disclosed
WO-2004069829-A1 (2S)-2-((PYRIMIDIN-4-YL)AMINO)-4-METHYLPENTANOIC ACID AMINOETHYLAMID DERIVATIVES AS IL-8 RECEPTOR MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND RHEUMATOID ARTHRITIS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-19 WO disclosed