SCHEMBL7842572

SCHEMBL7842572

Cc1[nH]c2ccc(OCc3ccccc3)cc2c1C1CCC(=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.54
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
CTSV O60911 3/20 0.49
CTSL P07711 3/20 0.49
MAPKAPK2 P49137 1/20 0.48
MAPT P10636 4/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 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
SCHEMBL9449668 0.76 TRPM8 (0.51) TRPM8MAOAMAOBCTSVCTSL
SCHEMBL18796679 0.74 MAOA (0.62) TRPM8MAOAMAOBCTSVCTSL
SCHEMBL3389079 0.73 TRPM8 (0.61) TRPM8MAOAMAOBCTSVCTSL
SCHEMBL7848053 0.73 TRPM8 (0.61) TRPM8MAOAMAOBCTSVCTSL
SCHEMBL20635568 0.73 MAOA (0.50) TRPM8MAOAMAOBCTSVCTSL
SCHEMBL4331848 0.72 MRGPRX4 (0.56) MAOAMAOBMAPTLMNAGAA
SCHEMBL6640969 0.72 MAOB (0.47) MAOAMAOBHPGDALDH1A1SMN1; SMN2
SCHEMBL13802390 0.71 AKR1C2 (0.69) TRPM8MAOAMAOBCTSVCTSL
SCHEMBL7808827 0.71 L3MBTL1 (0.41) L3MBTL1
SCHEMBL11834740 0.70 MAPKAPK2 (0.46) TRPM8MAOAMAOBCTSVCTSL

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