SCHEMBL4742922

SCHEMBL4742922

O=C(O)c1c(N2CCNCC2)ccc2c1Cc1ccccc1O2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.41
HRH4 Q9H3N8 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DRD3 P35462 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR5A P47898 1/20 0.37
ADRB1 P08588 2/20 0.36

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
SCHEMBL4746981 0.88 POLB (0.42) MAOAMAOBALDH1A1TSHRHSD17B10
SCHEMBL4742904 0.83 MAOA (0.36) MAOAMAOBUSP2ALDH1A1TSHR
SCHEMBL1524560 0.80 ADRB1 (0.49) HTR6MAOAMAOBDRD3ALDH1A1
SCHEMBL4742298 0.79 POLB (0.30)
SCHEMBL4746059 0.77 MAOA (0.37) MAOAMAOBALDH1A1HTR2A
SCHEMBL1672256 0.76 MAOA (0.47) MAOAMAOBALDH1A1HSD17B10
SCHEMBL83906 0.74 MAOA (0.48) MAOAMAOBALDH1A1HSD17B10
SCHEMBL4298022 0.73 MAOA (0.47) MAOAMAOBALDH1A1HSD17B10
SCHEMBL2313646 0.72 MAOA (0.46) MAOAMAOBUSP2
SCHEMBL11506362 0.72 MAOA (0.46) MAOAMAOBALDH1A1HSD17B10

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