SCHEMBL6954549

SCHEMBL6954549

COc1ccc2c(C3CNCCN3c3ccncc3)noc2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.39
▸ HTR3A P46098 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTR2C P28335 4/20 0.38
▸ HTR2B P41595 3/20 0.38
▸ HTR2A P28223 4/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD4 P21917 1/20 0.36
▸ ACHE P22303 1/20 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
SCHEMBL6953391 0.85 KMT2A (0.37) HTR2ADRD2HTR1A
SCHEMBL6950569 0.84 ESR1 (0.35) HTR2CHTR2BHTR2AACHE
SCHEMBL6954250 0.83 HTR2A (0.43) CHRNA7HTR3AHTR2CHTR2BHTR2A
SCHEMBL8187347 0.80 NCF1 (0.45) CHRNA7HTR3AGAAHTR2CHTR2B
Hydrochloric Acid SCHEMBL6949333 0.80 NCF1 (0.45) CHRNA7HTR3AGAAHTR2CHTR2B
SCHEMBL6951013 0.78 HTR2C (0.38) GAAL3MBTL1HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL8183831 0.77 HTR2C (0.37) GAAL3MBTL1HTR2CHTR2BHTR2A
SCHEMBL8377186 0.76 GSK3B (0.44) CHRNA7HTR3AGAAL3MBTL1HTR2A
SCHEMBL7366527 0.75 L3MBTL1 (0.63) HTR3AGAAL3MBTL1HTR2CHTR2B
SCHEMBL8946930 0.71 HTR2C (0.36) CHRNA7HTR3AHTR2CHTR2BHTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669920-B1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2003-02-12 — — EP disclosed
US-5925766-A COGNITION ACTIVATORS FOR DECREASING CHOLINERGIC FUNCTION OF ALZHEIMER*S DISEASE AND ARE ENZYME INHIBITORS OF MONOAMINE OXIDASE AND ARE ANTIDEPRESSANTS HOECHST MARION ROUSSEL, INC. (US) 1999-07-20 — — US disclosed
US-5580982-A ANTIDEPRESSANTS; ANTICHOLINERGIC AGENTS; ALZHEIMER'S DISEASE; AMINE OXIDASE INHIBITORS HOECHST MARION ROUSSEL INC. (US) 1996-12-03 — — US disclosed
US-5494908-A ANTIDEPRESSANT HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) 1996-02-27 — — US disclosed
WO-1994012495-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-06-09 — — WO disclosed
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