SCHEMBL8042202

SCHEMBL8042202

N#CCCOc1cccc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.58
▸ GUSB P08236 1/20 0.56
▸ NR4A2 P43354 1/20 0.54
▸ CYP4F2 P78329 1/20 0.51
▸ CYP4A11 Q02928 1/20 0.51
▸ BCHE P06276 1/20 0.51
▸ MAOA P21397 1/20 0.50
▸ SGMS2 Q8NHU3 1/20 0.50
▸ SMPD1 P17405 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL27037987 0.88 MAOB (0.66) MAOBGUSBNR4A2BCHEMAOA
SCHEMBL11764164 0.86 GAA (0.50) MEN1KMT2A
SCHEMBL17361545 0.83 KDM4E (0.50) MAOBMEN1KMT2A
SCHEMBL1268719 0.82 MAOB (0.81) MAOBNR4A2CYP4F2CYP4A11BCHE
SCHEMBL7281686 0.81 CYP4F2 (0.60) MAOBGUSBNR4A2CYP4F2CYP4A11
SCHEMBL38671 0.80 KCNA3 (0.58) —
SCHEMBL30344886 0.80 MAOB (0.69) MAOBNR4A2CYP4F2CYP4A11BCHE
SCHEMBL538272 0.80 MAOB (0.69) MAOBNR4A2CYP4F2CYP4A11BCHE
SCHEMBL1636426 0.80 BCHE (0.58) MAOBGUSBNR4A2CYP4F2CYP4A11
SCHEMBL16502341 0.79 ALDH1A1 (0.54) MEN1KMT2A

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
US-6051605-A TREATING PSYCHOSIS AND SCHIZOPHRENIA USING A COMPOUND THAT IS AN ANTAGONIST OF DOPAMINE D4 RECEPTORS WARNER-LAMBERT COMPANY (US) 2000-04-18 — — US disclosed
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