SCHEMBL7842995

SCHEMBL7842995

COc1ccc2[nH]c(C)c(C3CCC(=O)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.51
MAPKAPK2 P49137 2/20 0.49
ALDH1A1 P00352 9/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 8/20 0.48
HSD17B10 Q99714 6/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
GFER P55789 1/20 0.47
AKR1C2 P52895 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
HTR7 P34969 2/20 0.45
ALOX15 P16050 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HTR2A P28223 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
SCHEMBL22773274 0.84 HTR6 (0.70) HTR6MAPKAPK2ALDH1A1HPGDKDM4E
SCHEMBL7842572 0.81 TRPM8 (0.54) MAPKAPK2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7841718 0.81 KEAP1 (0.47) HTR6ALDH1A1KDM4EHSD17B10HTR7
Hydrochloric Acid SCHEMBL5375438 0.81 MCHR1 (0.52) HTR6MAPKAPK2ALDH1A1HPGDKDM4E
SCHEMBL7808827 0.78 L3MBTL1 (0.41) HTR6MEN1KMT2AHTR2A
SCHEMBL6640509 0.77 HTR2A (0.47) HTR2AHTR2CGAA
SCHEMBL6634309 0.75 IDO1 (0.58) HTR6MAPTTSHRMTNR1AMTNR1B
SCHEMBL7843828 0.73 CCR3 (0.52) KDM4EMEN1KMT2AHTR2AHTR2C
SCHEMBL11632616 0.73 HTR6 (0.56) HTR6ALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL11847410 0.72 HTR6 (0.55) HTR6ALDH1A1HPGDKDM4EHSD17B10

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
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed