SCHEMBL8946930

SCHEMBL8946930

COc1ccc2c(N3CCNCC3c3nccc(Cl)n3)noc2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.36
▸ HTR2B P41595 5/20 0.36
▸ HTR2A P28223 4/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ NCF1 P14598 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ MAOB P27338 4/20 0.34

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
SCHEMBL8946929 0.74 MAPT (0.40) CHRNA7HTR3AACHEDYRK1A
SCHEMBL6954549 0.71 CHRNA7 (0.39) HTR2CHTR2BHTR2ACHRNA7HTR3A
SCHEMBL6954250 0.71 HTR2A (0.43) HTR2CHTR2BHTR2ACHRNA7HTR3A
SCHEMBL3911097 0.71 HTR3A (0.49) CHRNA7HTR3ANCF1
SCHEMBL8187347 0.70 NCF1 (0.45) HTR2CHTR2BHTR2ACHRNA7HTR3A
Water SCHEMBL6958984 0.70 HTR3A (0.48) CHRNA7HTR3ANCF1
Hydrochloric Acid SCHEMBL6949333 0.70 NCF1 (0.45) HTR2CHTR2BHTR2ACHRNA7HTR3A
SCHEMBL7753896 0.67 CHRNB2 (0.50) HTR2BHTR3ANCF1DYRK1A
SCHEMBL2709277 0.62 NCF1 (0.54) HTR3ANCF1
SCHEMBL1536638 0.61 KDM4E (0.47) CHRNA7HTR3AACHEDYRK1AMAOB

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-5580982-A ANTIDEPRESSANTS; ANTICHOLINERGIC AGENTS; ALZHEIMER'S DISEASE; AMINE OXIDASE INHIBITORS HOECHST MARION ROUSSEL INC. (US) 1996-12-03 — — US disclosed
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