SCHEMBL7841920

SCHEMBL7841920

CC(C)(C)C1CN(c2nccc3ccccc23)CCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
HCAR2 Q8TDS4 1/20 0.47
DPP4 P27487 3/20 0.46
DPP7 Q9UHL4 1/20 0.46
HTR2C P28335 1/20 0.46
SORD Q00796 2/20 0.46
ACACB O00763 1/20 0.42
SLC6A7 Q99884 1/20 0.40
SMO Q99835 2/20 0.40
PHGDH O43175 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 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 0.81 ADRB2 (0.46) DPP4SLC6A7DRD2
SCHEMBL4558300 0.81 SLC6A9 (0.44) DPP4HTR2CSLC6A7DRD2DRD4
SCHEMBL6636788 0.78 HRH4 (0.51) HRH4HCAR2DPP4DPP7HTR2C
SCHEMBL1774568 0.78 HTR6 (0.58) DRD2
SCHEMBL7845835 0.77 SLC6A7 (0.43) SLC6A7SMODRD2
SCHEMBL3460721 0.76 LMNA (0.59) SMO
SCHEMBL6971671 0.76 HTR2A (0.45) HTR2CSLC6A7
SCHEMBL29252729 0.76 AGTR2 (0.48) SLC6A7DRD2
SCHEMBL1775509 0.75 SLC6A7 (0.35) SLC6A7
SCHEMBL29230309 0.74 KIT (0.55)

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