SCHEMBL3637427

SCHEMBL3637427

CCCC(=O)NC1CCN(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.61
MTNR1B P49286 5/20 0.61
ME3 Q16798 1/20 0.60
NAMPT P43490 1/20 0.57
EPHX2 P34913 1/20 0.52
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
SMYD3 Q9H7B4 1/20 0.50
NPY5R Q15761 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
MEN1 O00255 1/20 0.49
CHRM4 P08173 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL27808896 0.92 MTNR1A (0.55) MTNR1AMTNR1BME3NAMPTEPHX2
SCHEMBL12041223 0.89 LMNA (0.58) MTNR1AMTNR1BME3KMT2ASMN1; SMN2
SCHEMBL3209065 0.88 ME3 (0.63) MTNR1AMTNR1BME3EPHX2KMT2A
SCHEMBL9852459 0.81 SIGMAR1 (0.75) SIGMAR1
SCHEMBL19658840 0.80 DRD2 (0.65) MTNR1AMTNR1BME3EPHX2SMN1; SMN2
SCHEMBL17748966 0.80 EPHX2 (0.61) ME3EPHX2KMT2ASMN1; SMN2NPY5R
SCHEMBL17846438 0.77 EPHX2 (0.58) ME3EPHX2KMT2ASMN1; SMN2SMYD3
SCHEMBL7091382 0.77 ME3 (0.59) ME3EPHX2SMN1; SMN2CHRM4NPC1
SCHEMBL25680457 0.77 EPHX2 (0.54) MTNR1AMTNR1BME3EPHX2SMN1; SMN2
SCHEMBL19652146 0.77 CKS1B (0.59) ME3EPHX2SMN1; SMN2NPY5RDRD2

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-2155227-A1 NEW TREATMENT FOR CHEMICAL SUBSTANCE ADDICTION Dickson, Suzanne L (SE) 2010-02-24 EP disclosed
WO-2009020419-A1 NEW TREATMENT FOR CHEMICAL SUBSTANCE ADDICTION DICKSON SUZANNE L (SE) 2009-02-12 WO disclosed