SCHEMBL30142430

SCHEMBL30142430

CCC(C)NC12CC3CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.58
GRIN2A Q12879 4/20 0.58
GRIN2D O15399 3/20 0.58
GRIN3B O60391 3/20 0.58
GRIN2B Q13224 3/20 0.58
GRIN2C Q14957 3/20 0.58
GRIN3A Q8TCU5 3/20 0.58
EPHX2 P34913 7/20 0.44
HDAC1 Q13547 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC3 O15379 3/20 0.40
LMNA P02545 2/20 0.38
SLC22A1 O15245 1/20 0.38
ESR1 P03372 1/20 0.38
ADRB3 P13945 1/20 0.38
ACHE P22303 1/20 0.38
OPRK1 P41145 1/20 0.38
MTOR P42345 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL24443754 0.82 SMN1; SMN2 (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL660099 0.81 GRIN1 (0.61) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL18426415 0.78 GRIN1 (0.57) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL21518418 0.77 EPHX2 (0.47) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL30444009 0.75 KMT2A (0.47) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL30189438 0.74 GRIN2D (0.49) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL292647 0.73 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL18426735 0.73 GRIN2D (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8061377 0.72 GRIN1 (0.71) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1072142 0.72 GRIN1 (0.71) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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-4107198-B1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2024-03-13 EP disclosed
EP-3560975-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES AND ANTIOXIDANTS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-12-06 EP disclosed
EP-3724251-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-11-22 EP disclosed
EP-3851472-B1 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-06-07 EP disclosed
EP-4107198-A1 POLYISOCYANATE PREPARATIONS Covestro Deutschland AG (DE) 2022-12-28 EP disclosed