SCHEMBL7845835

SCHEMBL7845835

CC(C)(C)C1CN(c2cccc3ncccc23)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.43
CHRM1 P11229 7/20 0.43
TRPV1 Q8NER1 1/20 0.42
HTR1A P08908 2/20 0.41
GRM1 Q13255 1/20 0.41
PDGFRB P09619 1/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
SMO Q99835 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM3 P20309 2/20 0.38
DRD3 P35462 1/20 0.38
CXCR3 P49682 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
SCHEMBL4527918 0.93 ADRB2 (0.46) SLC6A7CHRM1GRM1PDGFRBDRD2
SCHEMBL4558300 0.83 SLC6A9 (0.44) SLC6A7HTR1ADRD2HTR2AHTR7
SCHEMBL6971671 0.83 HTR2A (0.45) SLC6A7TRPV1HTR1AGRM1HTR2A
SCHEMBL429715 0.82 MAPT (0.42) SLC6A7HTR1ADRD2ADRB2NCF1
SCHEMBL6637886 0.78 TRPV1 (0.42) CHRM1TRPV1HTR1APDGFRBDRD2
SCHEMBL7841920 0.77 HRH4 (0.52) SLC6A7DRD2SMO
SCHEMBL6889140 0.77 ALDH1A1 (0.43) SLC6A7HTR1AGRM1CXCR3
SCHEMBL30881604 0.76 ADRA2C (0.45) SLC6A7GRM1
SCHEMBL17491559 0.76 ADRA2C (0.45) SLC6A7GRM1
SCHEMBL2327343 0.75 RBP4 (0.37) SLC6A7GRM1DRD2HTR7HCRTR1

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