SCHEMBL10965656

SCHEMBL10965656

C/C=C/C(=O)NCC(C)(C)CN(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.38
CNR2 P34972 7/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TRPA1 O75762 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PAX8 Q06710 1/20 0.36
TGM2 P21980 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
SCHEMBL10965664 1.00 CNR1 (0.38) CNR1CNR2LMNATP53TRPA1
SCHEMBL10963341 0.84 CNR1 (0.39) CNR1CNR2LMNATP53TRPA1
SCHEMBL10963349 0.84 CNR1 (0.39) CNR1CNR2LMNATP53TRPA1
SCHEMBL20585498 0.82 LMNA (0.50) CNR1CNR2LMNATP53TRPA1
SCHEMBL5693421 0.81 ALDH1A1 (0.41) LMNATP53ALDH1A1PAX8TGM2
SCHEMBL20216157 0.80 CNR2 (0.42) CNR1CNR2LMNATP53TRPA1
SCHEMBL18897129 0.77 LMNA (0.44) CNR1CNR2LMNATP53TRPA1
SCHEMBL18737455 0.75 CNR1 (0.43) CNR1CNR2LMNATP53TRPA1
SCHEMBL9004525 0.74 CNR2 (0.46) CNR1CNR2LMNATP53TRPA1
SCHEMBL21166388 0.73 CNR2 (0.42) CNR1CNR2LMNATP53TRPA1

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
EP-0013416-B1 PROCESS FOR THE PREPARATION OF ALPHA-BETA UNSATURATED N-SUBSTITUTED CARBOXYLIC ACID AMIDES, ALPHA-BETA UNSATURATED N-SUBSTITUTED CARBOXYLIC ACID AMIDES AND THEIR USE FOR PREPARING ION EXCHANGERS Chemische Fabrik Stockhausen GmbH (DE) 1985-09-18 EP disclosed
EP-0038573-B1 POLYMERS OF ALPHA-BETA-UNSATURATED N-SUBSTITUTED CARBOXYLIC-ACID AMIDES AND THEIR USE AS SEDIMENTATION, FLOCCULATION, DEWATERING AND RETENTION AUXILIARY AGENTS Chemische Fabrik Stockhausen GmbH (DE) 1985-09-04 EP disclosed
US-4528350-A Polymers of α,β-unsaturated N-substituted carboxylic acid amides CHEMISCHE FABRIK STOCKHAUSEN & CIE (DE) 1985-07-09 US disclosed
US-4408073-A TRANSAMIDATION OF 3-HYDROXY AMIDE, DEHYDRATION CHEMISCHE FABRIK STOCKHAUSEN & CIE (DE) 1983-10-04 US disclosed
EP-0038573-A1 Polymers of alpha-beta-unsaturated N-substituted carboxylic-acid amides and their use as sedimentation, flocculation, dewatering and retention auxiliary agents Chemische Fabrik Stockhausen GmbH (DE) 1981-10-28 EP disclosed