SCHEMBL4686248

SCHEMBL4686248

CC(CCNC(=O)C(C)(C)Sc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.50
CNR2 P34972 5/20 0.50
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
RIPK1 Q13546 1/20 0.43
CASR P41180 1/20 0.42
OPRK1 P41145 1/20 0.40
EPHX2 P34913 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
PAX8 Q06710 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14246891 0.79 CNR1 (0.52) CNR1CNR2MTNR1AMTNR1BRIPK1
SCHEMBL4686806 0.78 NPC1 (0.46) CNR1CNR2HPGDNPC1RAB9A
SCHEMBL4689295 0.77 CASR (0.46) CNR1CNR2MTNR1AMTNR1BRIPK1
SCHEMBL1426449 0.76 MTNR1A (0.56) CNR1CNR2MTNR1AMTNR1BRIPK1
SCHEMBL4787962 0.74 CNR1 (0.51) CNR1CNR2MTNR1AMTNR1BRIPK1
SCHEMBL3145076 0.72 SLC6A4 (0.50) RIPK1PKMALDH1A1HPGDLMNA
SCHEMBL3145083 0.72 SLC6A4 (0.50) RIPK1PKMALDH1A1HPGDLMNA
SCHEMBL10722901 0.72 EPHX2 (0.73) MTNR1AMTNR1BRIPK1EPHX2LMNA
SCHEMBL26262860 0.72 MTNR1A (0.57) CNR1CNR2MTNR1AMTNR1BCASR
SCHEMBL3144439 0.71 ALDH1A1 (0.40) MTNR1AMTNR1BRIPK1PKMALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768954-A4 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-05-28 EP claimed
EP-1768954-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-04 EP claimed
WO-2006002361-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO claimed
EP-1768954-A4 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-05-28 EP disclosed
EP-1768954-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-04 EP disclosed
WO-2006002361-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO disclosed