SCHEMBL3209065

SCHEMBL3209065

CCC(=O)NC1CCN(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ME3 Q16798 1/20 0.63
EPHX2 P34913 2/20 0.54
MTNR1A P48039 6/20 0.53
MTNR1B P49286 6/20 0.53
CCR8 P51685 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 2/20 0.51
DRD3 P35462 1/20 0.51
NPY5R Q15761 1/20 0.51
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL3637427 0.88 MTNR1A (0.61) ME3EPHX2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7287768 0.87 SMN1; SMN2 (0.55) ME3EPHX2MTNR1AMTNR1BCCR8
SCHEMBL12041223 0.84 LMNA (0.58) ME3MTNR1AMTNR1BSMN1; SMN2KMT2A
SCHEMBL19658840 0.83 DRD2 (0.65) ME3EPHX2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL27641274 0.82 MTNR1A (0.53) ME3MTNR1AMTNR1BCCR8MEN1
SCHEMBL17748966 0.82 EPHX2 (0.61) ME3EPHX2SMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL27808896 0.82 MTNR1A (0.55) ME3EPHX2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL17846438 0.80 EPHX2 (0.58) ME3EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL7268908 0.79 SIGMAR1 (0.79) CCR8SIGMAR1
SCHEMBL19652146 0.79 CKS1B (0.59) ME3EPHX2SMN1; SMN2DRD2DRD3

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
WO-2023109944-A1 TLR MODULATOR AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-06-22 WO disclosed
WO-2010005400-A1 OPIOID AGONIST COMPOSITIONS FOR PAIN MANAGEMENT IX BIOPHARMA PTE LTD (SG) 2010-01-14 WO disclosed