SCHEMBL7438133

SCHEMBL7438133

O=C(Nc1ccccc1)N(I)CCC1CCN(CC2=Cc3ccccc3OC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
ACHE P22303 5/20 0.40
HTR2C P28335 1/20 0.40
MCHR1 Q99705 1/20 0.40
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.39
MAOB P27338 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL7365661 0.71 DRD2 (0.43) ACHE
SCHEMBL10667389 0.70 PARP1 (0.49)
SCHEMBL14454752 0.69 HTR2C (0.46) HTR2CMCHR1LMNA
SCHEMBL12059418 0.62 BCHE (0.66) ACHEBCHEMAOBCHRM4
SCHEMBL5582813 0.62 MCHR1 (0.85) HTR2CMCHR1LMNA
SCHEMBL8665718 0.61 ALOX5 (0.49) ALOX5MAOB
SCHEMBL8782435 0.61 ACHE (0.65) ACHE
Hydrochloric Acid SCHEMBL9471266 0.60 ATM (0.53) HTR2CMCHR1LMNA
SCHEMBL2019709 0.59 HTT (0.64) LMNA
SCHEMBL10089068 0.59 S1PR5 (0.48) ALOX5HTR2CMCHR1

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
WO-1998002435-A1 NOVEL BENZODIOXANES AND 1-(2H)-BENZOPYRANES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-01-22 WO disclosed