SCHEMBL7680997

SCHEMBL7680997

Cc1ccccc1C1CC(=O)c2c(C)c[nH]c2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
MAP1LC3B Q9GZQ8 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL7678959 0.87 SMN1; SMN2 (0.49) MAP1LC3BHPGDHSD17B10ALOX15TSHR
SCHEMBL7683083 0.87 MAP1LC3B (0.39) MAP1LC3BHSD17B10ALOX15TSHRHCAR2
SCHEMBL7685234 0.84 ALOX15 (0.56) MAP1LC3BHSD17B10ALOX15TSHRSMN1; SMN2
SCHEMBL7689241 0.77 HCAR2 (0.48) HTR2CMAP1LC3BHPGDHSD17B10ALOX15
SCHEMBL7689215 0.76 TSHR (0.55) MAP1LC3BHPGDHSD17B10TSHRHCAR2
SCHEMBL7481463 0.73 HCAR2 (0.45) HTR2CMAP1LC3BHPGDHSD17B10ALOX15
SCHEMBL426358 0.71 HTR2C (0.52) HTR2CMAP1LC3BHPGDHSD17B10HCAR2
SCHEMBL7487161 0.71 HPGD (0.50) HTR2CMAP1LC3BHPGDHSD17B10ALOX15
Hydrochloric Acid SCHEMBL7685143 0.71 HTR2C (0.34) HTR2CHCAR2
SCHEMBL3029983 0.71 HTR2C (0.52) HTR2CHPGDHSD17B10ALOX15TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed