SCHEMBL7907540

SCHEMBL7907540

NC(=O)C1CC(NCc2ccccn2)CCc2cc[c]cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMO Q99835 1/20 0.35
P2RX7 Q99572 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7763188 0.73 APOB (0.34)
SCHEMBL4392500 0.71 KDM1A (0.41) KDM4EKDM1AMAOAMAOBALDH1A1
SCHEMBL4392496 0.71 KDM1A (0.41) KDM4EKDM1AMAOAMAOBALDH1A1
Hydrochloric Acid SCHEMBL7906091 0.71 KDM1A (0.40) KDM4EKDM1AMAOAMAOBALDH1A1
SCHEMBL13280435 0.67 MAOA (0.55) KDM4EKDM1AMAOAMAOBALDH1A1
SCHEMBL5539196 0.66 MAOA (0.61) KDM4EKDM1AMAOAMAOBALDH1A1
SCHEMBL29785655 0.66 MAOA (0.61) KDM4EKDM1AMAOAMAOBALDH1A1
SCHEMBL662711 0.66 MAOA (0.57) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL1732541 0.66 MAOA (0.61) KDM4EKDM1AMAOAMAOBALDH1A1
SCHEMBL7907542 0.65 GRIN2B (0.66) KDM1AMAOAMAOBALDH1A1SMO

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-2001005767-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2001-01-25 WO claimed
US-6197798-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN NOVARTIS AG (CH) 2001-03-06 US disclosed