SCHEMBL7868060

SCHEMBL7868060

CC(C)CCNC(=O)c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
TSHR P16473 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NAAA Q02083 1/20 0.59
NAMPT P43490 1/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PTGS2 P35354 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MPO P05164 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 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
SCHEMBL19177259 0.90 L3MBTL1 (0.67) EPHX2SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL1499679 0.88 SMN1; SMN2 (0.57) EPHX2SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL29038551 0.87 NAAA (0.70) EPHX2SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL17887994 0.87 SMN1; SMN2 (0.77) EPHX2SMN1; SMN2RAB9ANPC1NAMPT
SCHEMBL9339173 0.83 MAPT (0.69) EPHX2SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL496789 0.82 SMN1; SMN2 (0.81) EPHX2SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL6755723 0.82 NAMPT (0.63) EPHX2SMN1; SMN2TSHRL3MBTL1NAAA
SCHEMBL15738287 0.82 SMN1; SMN2 (0.54) EPHX2SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL24915942 0.81 TSHR (0.60) EPHX2SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL25724177 0.81 TSHR (0.60) EPHX2SMN1; SMN2RAB9ANPC1TSHR

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-2488032-B1 PROSTAGLANDIN TRANSPORTER INHIBITORS AND USES THEREOF EINSTEIN COLL MED (US) 2016-11-02 EP disclosed
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed