SCHEMBL8522922

SCHEMBL8522922

C=CC(NCc1ccccc1)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.47
SLC6A2 P23975 6/20 0.47
SLC6A3 Q01959 2/20 0.44
SIGMAR1 Q99720 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CXCR4 P61073 1/20 0.40
ACHE P22303 1/20 0.39
TSHR P16473 1/20 0.37

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
SCHEMBL7076324 0.77 KMT2A (0.46) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL9048459 0.77 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL9621922 0.70 CHRM2 (0.39) KMT2ASMN1; SMN2
SCHEMBL10524000 0.69 POLB (0.48) MEN1KMT2ASMN1; SMN2
SCHEMBL10524011 0.69 POLB (0.48) MEN1KMT2ASMN1; SMN2
SCHEMBL8773823 0.68 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL1101369 0.68 MEN1 (0.59) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL7368104 0.68 MEN1 (0.59) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL27878470 0.68 ALDH1A1 (0.49) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL10316558 0.68 SIGMAR1 (0.50) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1

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-0955296-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-10 EP disclosed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 US disclosed