SCHEMBL11577982

SCHEMBL11577982

OC(CCC(O)C(O)N1CCNCC1)C(O)N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL30614569 0.87 CYP2D6 (0.32) SLC6A4SLC6A2SLC6A3CYP2D6CYP19A1
SCHEMBL11116199 0.84 SIGMAR1 (0.44) SMN1; SMN2CYP2D6SIGMAR1
SCHEMBL10536758 0.82 MEN1 (0.39) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL3654110 0.80 SMN1; SMN2 (0.36) SLC6A4SLC6A2MEN1KMT2ASMN1; SMN2
SCHEMBL28496037 0.77 MEN1 (0.37) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL23547193 0.73 SMN1; SMN2 (0.36) SLC6A4SLC6A2MEN1KMT2ASMN1; SMN2
SCHEMBL5779140 0.73 SMN1; SMN2 (0.36) SLC6A4SLC6A2MEN1KMT2ASMN1; SMN2
SCHEMBL9735269 0.73 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2CYP2D6CYP19A1
SCHEMBL11114473 0.71 SMN1; SMN2 (0.36) SLC6A4SLC6A2MEN1KMT2ASMN1; SMN2
SCHEMBL27764614 0.71

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 US disclosed