SCHEMBL31409560

SCHEMBL31409560

O=C1c2cc(O)ccc2CN1C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.58
POLB P06746 2/20 0.44
PARP1 P09874 1/20 0.44
HTT P42858 1/20 0.44
ESR2 Q92731 1/20 0.44
PBRM1 Q86U86 1/20 0.41
MTR Q99707 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PRKCI P41743 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CYP2C9 P11712 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 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
SCHEMBL16850280 0.98 CRBN (0.56) CRBNPOLBPARP1HTTESR2
SCHEMBL16850281 0.98 CRBN (0.56) CRBNPOLBPARP1HTTESR2
SCHEMBL19022946 0.94 CRBN (0.60) CRBNESR2PBRM1MTRMAOA
SCHEMBL16850288 0.88 CRBN (0.55) CRBNESR2PBRM1MTRMAOA
SCHEMBL787539 0.88 CRBN (0.58) CRBNPOLBPARP1HTTESR2
SCHEMBL18721459 0.87 CRBN (0.57) CRBNPARP1PBRM1MTR
SCHEMBL16850272 0.87 CRBN (0.54) CRBNESR2PBRM1MTRMAOA
SCHEMBL787032 0.85 CRBN (0.49) CRBNESR2PBRM1MAOAMAOB
SCHEMBL21994815 0.83 CRBN (0.51) CRBNPARP1PBRM1MTRPARP2
SCHEMBL25680612 0.83 POLB (0.43) CRBNPOLBPARP1HTTESR2

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-2025006553-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2025-01-02 WO disclosed