SCHEMBL21140576

SCHEMBL21140576

N[C@H]1CC[C@@H](C(=O)N2CCOCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 2/20 0.55
POLB P06746 2/20 0.55
PKM P14618 1/20 0.54
HTT P42858 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RECQL P46063 1/20 0.51
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44

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
SCHEMBL2226272 1.00 TSHR (0.56) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL3810198 1.00 TSHR (0.56) TSHRSMN1; SMN2HPGDPOLBPKM
Hydrochloric Acid SCHEMBL1226221 0.98 TSHR (0.54) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL11158442 0.90 TSHR (0.65) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL2687912 0.89 HPGD (0.49) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL2688841 0.86 ALDH1A1 (0.60) TSHRHPGDHTTALDH1A1LMNA
SCHEMBL14115754 0.85 RECQL (0.47) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL2687790 0.85 TSHR (0.56) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL2952742 0.82 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL3087287 0.82 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM

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
EP-3498701-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2019-06-19 EP disclosed