SCHEMBL7841718

SCHEMBL7841718

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
BRD3 Q15059 1/20 0.42
CCR3 P51677 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KIF11 P52732 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7843828 0.89 CCR3 (0.52) HTR2AHTR2CCCR3KDM4EKIF11
SCHEMBL7844479 0.83 HTR6 (0.50) KEAP1NFE2L2HTR2AHTR2CHTR6
SCHEMBL7842995 0.81 HTR6 (0.51) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL7808827 0.80 L3MBTL1 (0.41) HTR2AHTR6OPRM1OPRD1OPRK1
SCHEMBL6640509 0.80 HTR2A (0.47) HTR2AHTR2CGAAHTTNPC1
SCHEMBL7842572 0.74 TRPM8 (0.54) SMN1; SMN2LMNAKDM4EALDH1A1GAA
SCHEMBL5793597 0.71 SLC6A4 (0.56) HTR2AHTR2CHTR7HTR6OPRM1
SCHEMBL4078326 0.71 PARP1 (0.48) HTR2AHTR2CHTR6CCR3
Ethylene SCHEMBL6638987 0.69 SLC6A4 (0.54) HTR2AHTR2CHTR7HTR6OPRM1
SCHEMBL4103222 0.69 KDM4E (0.41) KEAP1NFE2L2HTR2AHTR2CHTR7

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