SCHEMBL4786908

SCHEMBL4786908

Cc1ccc(CN2CCN(C)CC2)c2c1CC[C@@H](N)C2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA1A P35348 1/20 0.37
MC4R P32245 1/20 0.36
ACHE P22303 1/20 0.35
MAPT P10636 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR6 P50406 1/20 0.35
CA2 P00918 1/20 0.35
NCF1 P14598 1/20 0.35
CHKA P35790 1/20 0.35
PRMT6 Q96LA8 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
SCHEMBL4786769 0.81 KDM4E (0.46) LMNAPOLBKDM4EALDH1A1TDP1
SCHEMBL4789084 0.79 KDM4E (0.45) LMNAKDM4EALDH1A1TDP1MEN1
SCHEMBL6819440 0.79 ADRA1A (0.40) POLBKDM4EALDH1A1ADRA1AMAPT
SCHEMBL4213722 0.79 ADRA1A (0.40) POLBKDM4EALDH1A1ADRA1AMAPT
SCHEMBL4787977 0.73 L3MBTL1 (0.40) LMNAPOLBALDH1A1KMT2A
SCHEMBL6823565 0.70 DRD2 (0.43) POLBKDM4EALDH1A1ADRA1AMAPT
SCHEMBL6823568 0.70 DRD2 (0.43) POLBKDM4EALDH1A1ADRA1AMAPT
SCHEMBL5634205 0.69 LMNA (0.49) LMNAMC4RCA2NCF1CHKA
SCHEMBL4787954 0.68 MEN1 (0.39) LMNAPOLBKDM4EALDH1A1MEN1
SCHEMBL4750459 0.68 LTA4H (0.41) NR1H2LMNAPOLBKDM4EALDH1A1

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