SCHEMBL532902

SCHEMBL532902

Cc1ccc(-c2ccccc2C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MCL1 Q07820 1/20 0.41
POLB P06746 1/20 0.40
MTTP P55157 1/20 0.40

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
SCHEMBL532826 0.93 ALDH1A1 (0.47) L3MBTL1GAAALDH1A1MAPTNPC1
SCHEMBL532809 0.92 ALDH1A1 (0.46) L3MBTL1GAAALDH1A1MAPTNPC1
SCHEMBL533307 0.92 F10 (0.43) L3MBTL1GAAALDH1A1MAPTNPC1
SCHEMBL532940 0.90 GAA (0.50) L3MBTL1GAAALDH1A1MAPTNPC1
SCHEMBL533536 0.89 L3MBTL1 (0.49) L3MBTL1GAAALDH1A1MAPTNPC1
SCHEMBL533668 0.89 HDAC7 (0.43) L3MBTL1GAAALDH1A1MAPTNPC1
SCHEMBL14288688 0.89 MTTP (0.52) GAAALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8318404 0.88 L3MBTL1 (0.42) L3MBTL1GAAALDH1A1MAPTNPSR1
SCHEMBL533116 0.88 MAPT (0.46) L3MBTL1GAAALDH1A1MAPTNPC1
SCHEMBL533064 0.85 MAPT (0.56) L3MBTL1GAAALDH1A1MAPTNPC1

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-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed