SCHEMBL8712170

SCHEMBL8712170

CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.53
CD274 Q9NZQ7 4/20 0.50
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HTR1A P08908 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL8707430 0.95 SMN1; SMN2 (0.53) HPGDSALDH1A1
SCHEMBL7869778 0.92 HPGDS (0.48) HPGDSCD274HPGD
SCHEMBL8709459 0.88 ADRA2A (0.51) HPGDALDH1A1MAOAKCNH2
SCHEMBL8709099 0.86 ADRA2A (0.49) ALDH1A1MAOAKCNH2
SCHEMBL8708307 0.85 ADRA2A (0.48) ALDH1A1MAOAKCNH2
SCHEMBL8711424 0.84 ADRA2A (0.47) MAOAKCNH2
SCHEMBL8709047 0.84 ADRA2A (0.47) ALDH1A1MAOAKCNH2
SCHEMBL8708504 0.83 ALDH1A1 (0.46) HPGDALDH1A1MAOAKCNH2
SCHEMBL8711082 0.83 ADRA2A (0.46) HTR1AMAOAKCNH2
SCHEMBL8708441 0.82 ADRA2A (0.49) ALDH1A1MAOAKCNH2

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-1998054140-A1 NOVEL TEREPHTHALAMIDE DERIVATIVES DONGWHA PHARMACEUTICAL IND. CO., LTD. (KR) 1998-12-03 WO disclosed