SCHEMBL172666

SCHEMBL172666

CCC[C@H](C)NCc1ccc(OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
CASR P41180 1/20 0.51
BCHE P06276 1/20 0.49
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL25588047 1.00 MEN1 (0.61) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL22961020 0.90 MEN1 (0.58) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL19865693 0.86 L3MBTL1 (0.57) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL20353277 0.81 TAS1R3 (0.49) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL25588081 0.81 MEN1 (0.56) MEN1KMT2AL3MBTL1CASRALDH1A1
SCHEMBL11824647 0.81 BCHE (0.74) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL696773 0.81 MEN1 (0.58) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL3508651 0.81 MEN1 (0.58) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL20502219 0.81 L3MBTL1 (0.56) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL10263818 0.81 L3MBTL1 (0.56) MEN1KMT2AHTTSMN1; SMN2L3MBTL1

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-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed