SCHEMBL7901196

SCHEMBL7901196

CCc1ccc(NC(=O)CC2CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
USP2 O75604 1/20 0.57
EPHX2 P34913 2/20 0.56
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
NAMPT P43490 1/20 0.54
IDO1 P14902 1/20 0.52
MAPT P10636 2/20 0.52

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
SCHEMBL25071296 0.92 RAB9A (0.68) RAB9ANPC1KMT2ASMN1; SMN2USP2
SCHEMBL17244556 0.83 POLB (0.63) RAB9ANPC1KMT2ASMN1; SMN2EPHX2
SCHEMBL7401491 0.81 KMT2A (0.87) RAB9ANPC1KMT2ASMN1; SMN2EPHX2
SCHEMBL9312728 0.80 HDAC3 (0.66) RAB9ANPC1KMT2ASMN1; SMN2HDAC3
SCHEMBL3332768 0.79 KMT2A (0.63) RAB9ANPC1KMT2ASMN1; SMN2EPHX2
SCHEMBL7008242 0.79 IDO1 (0.76) RAB9ANPC1KMT2ASMN1; SMN2EPHX2
SCHEMBL1160765 0.79 RAB9A (0.63) RAB9ANPC1KMT2ASMN1; SMN2EPHX2
SCHEMBL11208728 0.79 EPHX2 (0.83) RAB9ANPC1KMT2ASMN1; SMN2EPHX2
SCHEMBL12545832 0.79 L3MBTL1 (0.65) RAB9ANPC1KMT2ASMN1; SMN2EPHX2
SCHEMBL826066 0.78 HDAC3 (0.64) RAB9ANPC1KMT2ASMN1; SMN2HDAC3

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-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed