SCHEMBL4750442

SCHEMBL4750442

CN1CCN(C(=O)c2cccc3c2C[C@H](N)CO3)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CHEK1 O14757 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
SCHEMBL4746893 0.89 ALDH1A1 (0.47) L3MBTL1ALDH1A1KDM4ERAB9AMAPT
SCHEMBL4750426 0.89 ALDH1A1 (0.47) L3MBTL1ALDH1A1KDM4ERAB9AMAPT
SCHEMBL4749742 0.88 ALDH1A1 (0.46) ALDH1A1KDM4ERAB9AMAPTHPGD
SCHEMBL5761600 0.77 PARP1 (0.43)
SCHEMBL4751796 0.77 KCNH2 (0.47) L3MBTL1KMT2AALDH1A1LMNAMAPT
SCHEMBL4834468 0.77 KCNH2 (0.47) L3MBTL1KMT2AALDH1A1LMNAMAPT
SCHEMBL14157834 0.77 KCNH2 (0.47) L3MBTL1KMT2AALDH1A1LMNAMAPT
SCHEMBL4838068 0.77 KCNH2 (0.47) L3MBTL1KMT2AALDH1A1LMNAMAPT
SCHEMBL5764199 0.76 ALDH1A1 (0.46) L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL8823728 0.76 DRD2 (0.40)

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 1 patent. 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 disclosed