Sugi Predict

Sugi Predict / Compounds / SCHEMBL4742286

SCHEMBL4742286

SCHEMBL4742286

O=C(O)c1c(C2CNCCO2)ccc2c1Cc1ccccc1O2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ACSL1 P33121 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ HTR1A P08908 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
SCHEMBL4742894 0.82 MAOA (0.36) DRD2DRD3MAOAMAOBACSL1
SCHEMBL9056290 0.74 ACSL1 (0.40) MAOAMAOBACSL1
SCHEMBL9057696 0.74 ACSL1 (0.40) MAOAMAOBACSL1
SCHEMBL1672256 0.73 MAOA (0.47) MAOAMAOBACSL1
SCHEMBL83906 0.71 MAOA (0.48) MAOAMAOBACSL1
SCHEMBL4298022 0.70 MAOA (0.47) MAOAMAOBACSL1
SCHEMBL27551469 0.70 DRD2 (0.46) DRD2DRD3HTR2AKCNH2TAAR1
SCHEMBL4742922 0.70 HTR6 (0.41) DRD3HTR2AMAOAMAOBHTR1A
SCHEMBL2313646 0.69 MAOA (0.46) MAOAMAOBACSL1
SCHEMBL11506362 0.69 MAOA (0.46) MAOAMAOBACSL1

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-2008113814-A1 ORGANIC MOLYBDENUM COMPOUNDS, USE THEREOF AS FRICTION- MODIFIERS AND LUBRICATING COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-09-25 — — WO disclosed