SCHEMBL4750384

SCHEMBL4750384

N[C@@H]1COc2cccc(OCCC3CCCN3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL4789081 0.77 TDP1 (0.46)
SCHEMBL4749715 0.74 HTR1B (0.44)
SCHEMBL19667511 0.71 KDM1A (0.44)
SCHEMBL30208017 0.71 KDM1A (0.44)
SCHEMBL14157832 0.70 DRD2 (0.54)
SCHEMBL4839911 0.70 DRD2 (0.54)
SCHEMBL873501 0.70 DRD2 (0.54)
SCHEMBL873500 0.70 DRD2 (0.54)
SCHEMBL11456174 0.69 CHRNB4 (0.74) PIM1PIM2CHRNB4CHRNA3CHRNB2
SCHEMBL11467927 0.69 CHRNB4 (0.50) PIM1PIM2CHRNB4CHRNA3CHRNB2

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
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed