SCHEMBL6207217

SCHEMBL6207217

CCCN(C(=O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX2 P34913 1/20 0.37
CA12 O43570 4/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA1 P00915 3/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
NAMPT P43490 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL1758802 0.86 EPHX2 (0.45) MEN1KMT2AEPHX2CA12CA2
SCHEMBL1759008 0.82 EPHX2 (0.54) MEN1KMT2AEPHX2TDP1TSHR
SCHEMBL872128 0.80 MEN1 (0.38) MEN1KMT2AEPHX2
SCHEMBL497808 0.80 CA12 (0.36) MEN1KMT2AEPHX2CA12CA2
SCHEMBL6207215 0.80 CA12 (0.36) MEN1KMT2AEPHX2CA12CA2
SCHEMBL3163527 0.79 CA12 (0.32) CA12CA2CA9HDAC1HDAC2
SCHEMBL967673 0.79
SCHEMBL25007406 0.78 CA12 (0.34) EPHX2CA12CA2CA9CA1
SCHEMBL10829131 0.78 MEN1 (0.44) MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL9009588 0.78 EPHX2 (0.39) MEN1KMT2AEPHX2CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3870581-B1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2023-06-14 EP disclosed
EP-3621967-B1 BICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2022-01-19 EP disclosed
EP-3512849-B1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDIN-3-CARBOXAMIDES AND THEIR USE BAYER AG (DE) 2021-06-23 EP disclosed
EP-3481823-B1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 EP disclosed
EP-1507757-A1 LACTAMS USED AS ANTI-VIRAL AGENTS Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
WO-2003097595-A1 LACTAMS USED AS ANTI-VIRAL AGENTS BAYER HEALTHCARE AG (DE) 2003-11-27 WO disclosed