SCHEMBL7989700

SCHEMBL7989700

O=C(NCCC1CCN(CCc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ACHE P22303 1/20 0.45

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
Hydrochloric Acid SCHEMBL7986707 0.99 CHRM4 (0.46) CHRM4MAOAMAOBACHE
SCHEMBL7990681 0.95 CHRM4 (0.43) CHRM4MAOAMAOBACHE
SCHEMBL7989522 0.95 CHRM4 (0.53) CHRM4MAOAMAOBACHE
Hydrochloric Acid SCHEMBL7972385 0.94 CHRM4 (0.52) CHRM4MAOAMAOBACHE
Hydrochloric Acid SCHEMBL7989624 0.94 CHRM4 (0.42) CHRM4MAOAMAOBACHE
SCHEMBL7981833 0.91 HTR4 (0.47) ACHE
SCHEMBL7983920 0.91 CHRM4 (0.48) CHRM4MAOAMAOB
Hydrochloric Acid SCHEMBL7986403 0.91 HTR4 (0.47) ACHE
Hydrochloric Acid SCHEMBL7981637 0.90 CHRM4 (0.47) CHRM4MAOAMAOB
SCHEMBL7986225 0.89 MAOA (0.42) CHRM4MAOAMAOBACHE

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed