SCHEMBL9719202

SCHEMBL9719202

COc1cc(NC(C)CCCN2C(=O)c3ccccc3C2=O)c2nccc(C)c2c1OCCCCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.51
MAOB P27338 14/20 0.51
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PABPC1 P11940 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9719130 1.00 MAOA (0.51) MAOAMAOBTDP1L3MBTL1PABPC1
SCHEMBL9719135 1.00 MAOA (0.51) MAOAMAOBTDP1L3MBTL1PABPC1
SCHEMBL9719106 1.00 MAOA (0.51) MAOAMAOBTDP1L3MBTL1PABPC1
SCHEMBL9719158 1.00 MAOA (0.51) MAOAMAOBTDP1L3MBTL1PABPC1
SCHEMBL9719137 0.99 MAOA (0.52) MAOAMAOBPABPC1CASP7CASP6
SCHEMBL9719265 0.97 MAOA (0.53) MAOAMAOBPABPC1CASP7CASP6
SCHEMBL10947401 0.92 MAOA (0.53) MAOAMAOBPABPC1CASP7CASP6
SCHEMBL10946825 0.92 MAOA (0.53) MAOAMAOBPABPC1CASP7CASP6
SCHEMBL10948467 0.92 MAOA (0.53) MAOAMAOBPABPC1CASP7CASP6
SCHEMBL10944049 0.91 MAOA (0.54) MAOAMAOBPABPC1CASP7CASP6

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
US-5104885-A 5-(phenylalkoxy)primaquine and 5[(heterocycle)alkoxy] primaquine compounds and their use for treatment of malaria CALSPAN CORPORATION (US) 1992-04-14 US disclosed
US-4980360-A NONTOXIC AT HIGHER DOSAGES CALSPAN CORPORATION (US) 1990-12-25 US disclosed