SCHEMBL7227973

SCHEMBL7227973

CCC(C(=O)c1ccc2c(c1)CNCCC2)C1CCN(C(C)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
SMYD3 Q9H7B4 1/20 0.40
MCHR1 Q99705 5/20 0.38
SYK P43405 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ITGA2 P17301 1/20 0.35
ITGAV P06756 1/20 0.35
ITGB6 P18564 1/20 0.35

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
SCHEMBL7227178 0.80 ACHE (0.69) ACHEMCHR1
SCHEMBL7236407 0.79 ACHE (0.62) ACHEMCHR1
SCHEMBL5578148 0.68 ALDH1A1 (0.66) ACHESYK
SCHEMBL7226175 0.67 ACHE (0.67) ACHEMCHR1
Hydrochloric Acid SCHEMBL7850413 0.67 ALDH1A1 (0.64) ACHESYK
SCHEMBL12486922 0.66 MELK (0.44) ACHESYK
Hydrochloric Acid SCHEMBL9210231 0.66 ACHE (0.68) ACHE
SCHEMBL7226995 0.65 ACHE (0.59) ACHEMCHR1
SCHEMBL5421300 0.65 MCHR1 (0.79) ACHEMCHR1
SCHEMBL1790382 0.65 RORC (0.45) SMYD3MCHR1

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 3 patents. 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
EP-0975624-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 WO disclosed