SCHEMBL4440481

SCHEMBL4440481

O=CCCN1CCC(Sc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.61
PRMT6 Q96LA8 1/20 0.61
DRD4 P21917 1/20 0.44
SIGMAR1 Q99720 5/20 0.40
GRIN2B Q13224 4/20 0.40
GRIN2A Q12879 1/20 0.39
GRIN1 Q05586 2/20 0.38
SLC18A3 Q16572 1/20 0.36
DRD2 P14416 1/20 0.36
ACHE P22303 1/20 0.36
CCR3 P51677 1/20 0.36

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
SCHEMBL7764691 0.74 CCR3 (0.67) CARM1PRMT6SIGMAR1GRIN2BCCR3
SCHEMBL4864451 0.73 CARM1 (0.61) CARM1PRMT6DRD4
SCHEMBL14318735 0.73 BACE1 (0.50) CARM1PRMT6SIGMAR1DRD2
SCHEMBL7032512 0.72 CARM1 (0.57) CARM1PRMT6ACHE
SCHEMBL27843918 0.72 CARM1 (0.62) CARM1PRMT6DRD4SIGMAR1DRD2
SCHEMBL102816 0.70 CARM1 (0.50) CARM1PRMT6DRD4GRIN2BGRIN1
SCHEMBL12110641 0.70 CARM1 (0.50) CARM1PRMT6DRD4GRIN2BGRIN1
SCHEMBL3011074 0.70 CARM1 (0.53) CARM1PRMT6DRD4GRIN2BGRIN2A
SCHEMBL4870804 0.70 GRIN2A (0.54) CARM1PRMT6GRIN2BGRIN2AACHE
SCHEMBL14307093 0.70 CHRM2 (0.60) DRD4SIGMAR1DRD2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021005-A1 METHODS AND COMPOSITION FOR TREATMENT OF INFLAMMATORY PAIN CNSBIO PTY LTD (AU) 2009-02-11 EP disclosed
WO-2007128056-A1 METHODS AND COMPOSITION FOR TREATMENT OF INFLAMMATORY PAIN CNSBIO PTY LTD (AU) 2007-11-15 WO disclosed