SCHEMBL25838728

SCHEMBL25838728

CC(CN1CCCC1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
CHRM2 P08172 5/20 0.34
CHRM4 P08173 4/20 0.34
CHRM5 P08912 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ADRA2B P18089 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
SCHEMBL28638594 0.81 GAA (0.39) MAPTALDH1A1
SCHEMBL3408660 0.79 SMN1; SMN2 (0.44) SIGMAR1MAPTCHRM5CHRM3ALDH1A1
SCHEMBL3685740 0.79 CYP2D6 (0.34) KMT2ASIGMAR1MAPTCHRM2CHRM4
SCHEMBL30364023 0.79 CYP2D6 (0.34) KMT2ASIGMAR1MAPTCHRM2CHRM4
SCHEMBL22057767 0.76 SIGMAR1 (0.50) MEN1KMT2ASIGMAR1GRIN2DGRIN3B
SCHEMBL20079563 0.76 MEN1 (0.40) MEN1KMT2ASIGMAR1GRIN2DGRIN3B
SCHEMBL5792913 0.75 MEN1 (0.42) MEN1KMT2ASIGMAR1MAPTATM
SCHEMBL17519187 0.74 SIGMAR1 (0.49) MEN1KMT2ASIGMAR1GRIN2DGRIN3B
SCHEMBL12381528 0.74
SCHEMBL996901 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209138-A1 PRODUCTION OF HARD POLYURETHANE OR POLYISOCYANURATE FOAM EVONIK OPERATIONS GMBH (DE) 2024-06-27 US claimed
EP-4323420-A1 PRODUCTION OF HARD POLYURETHANE OR POLYISOCYANURATE FOAM Evonik Operations GmbH (DE) 2024-02-21 EP claimed
WO-2022218657-A1 PRODUCTION OF HARD POLYURETHANE OR POLYISOCYANURATE FOAM EVONIK OPERATIONS GMBH (DE) 2022-10-20 WO claimed
US-20240209138-A1 PRODUCTION OF HARD POLYURETHANE OR POLYISOCYANURATE FOAM EVONIK OPERATIONS GMBH (DE) 2024-06-27 US disclosed
EP-4323420-A1 PRODUCTION OF HARD POLYURETHANE OR POLYISOCYANURATE FOAM Evonik Operations GmbH (DE) 2024-02-21 EP disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2022218657-A1 PRODUCTION OF HARD POLYURETHANE OR POLYISOCYANURATE FOAM EVONIK OPERATIONS GMBH (DE) 2022-10-20 WO disclosed