SCHEMBL9411374

SCHEMBL9411374

O=c1c2ccc(F)cc2on1CCCC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.43
▸ MCHR1 Q99705 2/20 0.43
▸ FAAH O00519 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ HTR2A P28223 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL9411582 0.95 MCHR1 (0.47) ACHEMCHR1HTR2AKCNH2
SCHEMBL9411368 0.94 ACHE (0.47) ACHEMCHR1MAOBHTR2ADRD3
SCHEMBL9411540 0.89 MCHR1 (0.40) ACHEMCHR1HTR2AKCNH2
SCHEMBL9411448 0.89 MCHR1 (0.48) ACHEMCHR1KCNH2
SCHEMBL9411544 0.87 SLC6A2 (0.50) ACHEMCHR1HTR2A
SCHEMBL9411302 0.85 ACHE (0.50) ACHEMCHR1KCNH2
SCHEMBL9411478 0.83 MCHR1 (0.41) ACHEMCHR1KCNH2
SCHEMBL9411196 0.82 OPRM1 (0.42) ACHEHTR2AKCNH2
SCHEMBL9411393 0.81 SLC6A4 (0.50) ACHEMCHR1HTR2A
SCHEMBL9411512 0.81 KDM4E (0.42) ACHEHTR2A

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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