SCHEMBL7909108

SCHEMBL7909108

Nc1ccc2c(c1)CC(NCc1ccccn1)C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.53
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
MTTP P55157 2/20 0.46
APOB P04114 1/20 0.46
GRIN2B Q13224 1/20 0.45
KDM1A O60341 1/20 0.44
PRMT1 Q99873 1/20 0.43
FYN P06241 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 1/20 0.40
VCP P55072 1/20 0.39
HRH1 P35367 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4392502 1.00 SMO (0.53) SMOMAOAMAOBMTTPAPOB
Hydrochloric Acid SCHEMBL7906095 0.99 SMO (0.53) SMOMAOAMAOBMTTPAPOB
SCHEMBL7907542 0.84 GRIN2B (0.66) SMOMAOAMAOBGRIN2BKDM1A
Hydrochloric Acid SCHEMBL10447026 0.84 SMO (0.52) SMOMAOAMAOBMTTPAPOB
SCHEMBL6488557 0.80 SIGMAR1 (0.52) SMO
SCHEMBL7972733 0.76 HDAC8 (0.51) GRIN2BSMN1; SMN2
SCHEMBL5539196 0.74 MAOA (0.61) MAOAMAOBKDM1AL3MBTL1SMN1; SMN2
SCHEMBL29785655 0.74 MAOA (0.61) MAOAMAOBKDM1AL3MBTL1SMN1; SMN2
SCHEMBL662711 0.74 MAOA (0.57) MAOAMAOBKDM1AL3MBTL1VCP
SCHEMBL1732541 0.74 MAOA (0.61) MAOAMAOBKDM1AL3MBTL1SMN1; SMN2

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 3 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
WO-2001005767-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2001-01-25 WO disclosed