SCHEMBL4787977

SCHEMBL4787977

Cc1ccc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](N)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
HTT P42858 2/20 0.37
HSP90AA1 P07900 1/20 0.36
CNR1 P21554 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4788693 0.83 HPGD (0.58) LMNATSHRHPGDALDH1A1POLB
SCHEMBL4788901 0.81 ALDH1A1 (0.48) L3MBTL1LMNATSHRHPGDALDH1A1
SCHEMBL4213722 0.76 ADRA1A (0.40) L3MBTL1ALDH1A1POLBHTTGAA
SCHEMBL6819440 0.76 ADRA1A (0.40) L3MBTL1ALDH1A1POLBHTTGAA
SCHEMBL4212502 0.73 TSHR (0.37) LMNATSHRALDH1A1POLBKMT2A
SCHEMBL7245369 0.73 TSHR (0.37) LMNATSHRALDH1A1POLBKMT2A
SCHEMBL4786908 0.73 NR1H2 (0.39) LMNAALDH1A1POLBKMT2A
SCHEMBL4750860 0.71 KDM4E (0.39) L3MBTL1LMNAALDH1A1POLBHTT
SCHEMBL4750442 0.69 CNR1 (0.47) L3MBTL1LMNATP53ALOX15TSHR
SCHEMBL4222227 0.69 GPR119 (0.45) L3MBTL1LMNAALDH1A1KMT2AHTT

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