SCHEMBL7227474

SCHEMBL7227474

CC(=O)N1CCC(CCC(=O)c2ccc3c(c2)CCN3c2ccncc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.60
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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 SCHEMBL7228789 0.85 ACHE (0.59) ACHE
SCHEMBL9210160 0.83 ACHE (0.69) ACHEMCHR1ALDH1A1HPGD
SCHEMBL7838347 0.83 ACHE (0.88) ACHE
Hydrochloric Acid SCHEMBL7234842 0.82 ACHE (0.86) ACHE
SCHEMBL9208669 0.82 ALDH1A1 (0.59) ACHEALDH1A1HPGD
SCHEMBL9208257 0.81 ACHE (0.70) ACHEMCHR1ALDH1A1HPGD
SCHEMBL9208387 0.79 ACHE (0.70) ACHE
Hydrochloric Acid SCHEMBL7233989 0.79 ACHE (0.58) ACHE
SCHEMBL9208181 0.79 ACHE (0.57) ACHEALDH1A1HPGD
SCHEMBL9210338 0.78 ACHE (0.52) ACHEMCHR1ALDH1A1HPGD

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-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed