SCHEMBL16480476

SCHEMBL16480476

CC1CCC(=O)N1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.68
SLC6A4 P31645 8/20 0.68
SLC6A3 Q01959 5/20 0.68
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADAM17 P78536 1/20 0.44
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ABL1 P00519 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL16480426 0.88 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1ABL1
SCHEMBL16480404 0.88 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL16480395 0.86 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL16480372 0.86 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ABL1
SCHEMBL13934938 0.83 AR (0.62) SLC6A2SLC6A4SLC6A3
SCHEMBL9893145 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL22658820 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL13664861 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL16480394 0.81 KMT2A (0.48) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9891759 0.80 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed