SCHEMBL7843750

SCHEMBL7843750

N#CCCc1ccc2[nH]cc(C3CCC(=O)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.46
HTR1D P28221 7/20 0.46
HTR1A P08908 2/20 0.46
SLC6A4 P31645 7/20 0.41
IDO1 P14902 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR6 P50406 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL7832558 0.93 HTR1D (0.44) HTR1BHTR1DHTR1ASLC6A4IDO1
SCHEMBL7808829 0.88 HTR1B (0.43) HTR1BHTR1DHTR1ASLC6A4IDO1
SCHEMBL7844484 0.84 HTR1D (0.48) HTR1BHTR1DHTR1ASLC6A4IDO1
SCHEMBL7841722 0.81 HTR1D (0.45) HTR1BHTR1DHTR1ASLC6A4IDO1
SCHEMBL5792377 0.79 SLC6A4 (0.63) HTR1BHTR1ASLC6A4IDO1DRD1
SCHEMBL7842998 0.78 HTR1D (0.45) HTR1BHTR1DHTR1ASLC6A4IDO1
Ethylene SCHEMBL7484426 0.77 SLC6A4 (0.60) HTR1BHTR1ASLC6A4IDO1DRD1
SCHEMBL7842576 0.75 OPRM1 (0.47) HTR1BHTR1DHTR1ASLC6A4IDO1
SCHEMBL7855640 0.75 SLC6A4 (0.44) HTR1BHTR1DHTR1ASLC6A4IDO1
SCHEMBL2217699 0.74 SLC6A4 (0.56) HTR1BHTR1DHTR1ASLC6A4IDO1

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