SCHEMBL7842998

SCHEMBL7842998

COCc1ccc2[nH]cc(C3CCC(=O)CC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.45
HTR1B P28222 12/20 0.45
HTR1A P08908 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
THPO P40225 1/20 0.44
SLC6A4 P31645 3/20 0.42
HTR1F P30939 1/20 0.41
IDO1 P14902 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7842576 0.84 OPRM1 (0.47) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7841722 0.83 HTR1D (0.45) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7844484 0.81 HTR1D (0.48) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL6634309 0.81 IDO1 (0.58) HTR1ASLC6A4IDO1MAPT
SCHEMBL7808829 0.80 HTR1B (0.43) HTR1DHTR1BHTR1ASLC6A4IDO1
SCHEMBL7843750 0.78 HTR1B (0.46) HTR1DHTR1BHTR1ASLC6A4IDO1
SCHEMBL7832558 0.76 HTR1D (0.44) HTR1DHTR1BHTR1ASLC6A4IDO1
SCHEMBL2217699 0.76 SLC6A4 (0.56) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL6634183 0.76 SLC6A4 (0.56) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL5793597 0.76 SLC6A4 (0.56) HTR1BHTR1ASLC6A4IDO1

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