SCHEMBL9411236

SCHEMBL9411236

Cc1ccc2c(=O)n(CCCC3CCN(CCc4ccccc4)CC3)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ ACHE P22303 2/20 0.44
▸ CCR3 P51677 1/20 0.44
▸ HRH1 P35367 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42

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
SCHEMBL9411434 0.94 MAOA (0.46) MAOAMAOBACHECCR3HRH1
SCHEMBL9411446 0.90 HTR1A (0.41) —
Fumaric Acid SCHEMBL9411459 0.88 ACHE (0.45) MAOAMAOBACHEHRH1MEN1
Fumaric Acid SCHEMBL9411463 0.88 ACHE (0.45) MAOAMAOBACHEHRH1MEN1
SCHEMBL9411206 0.86 ACHE (0.50) MAOAMAOBACHECCR3HRH1
SCHEMBL9411647 0.85 ACHE (0.53) MAOAMAOBACHEMEN1KMT2A
SCHEMBL9411334 0.82 OPRM1 (0.43) ACHE
SCHEMBL9411209 0.82 DRD2 (0.48) CCR3
Fumaric Acid SCHEMBL9411360 0.81 ACHE (0.45) MAOBACHEHRH1MEN1KMT2A
Fumaric Acid SCHEMBL9411356 0.81 ACHE (0.45) MAOBACHEHRH1MEN1KMT2A

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
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 — — EP disclosed
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