SCHEMBL7333685

SCHEMBL7333685

COc1cc2c(cc1OC)CN(C(=O)CCCCC(=O)O)CC2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
NPC1 O15118 1/20 0.65
MAPT P10636 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
HPGD P15428 1/20 0.65
HTT P42858 1/20 0.65
ALDH1A1 P00352 3/20 0.63
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ABCB1 P08183 1/20 0.57
ABCC1 P33527 1/20 0.57
MEN1 O00255 2/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ALOX15 P16050 1/20 0.55
THRB P10828 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL13059438 0.86 KMT2A (0.68) KMT2ANPC1MAPTNPSR1HPGD
SCHEMBL28263863 0.85 KMT2A (0.63) KMT2ANPC1MAPTNPSR1HPGD
SCHEMBL14996180 0.83 KMT2A (0.67) KMT2ANPC1MAPTNPSR1ALDH1A1
SCHEMBL26544897 0.83 KMT2A (0.61) KMT2ANPC1MAPTNPSR1HPGD
SCHEMBL22196923 0.82 KMT2A (0.66) KMT2ANPC1MAPTNPSR1HPGD
SCHEMBL21255890 0.82 KMT2A (0.66) KMT2ANPC1MAPTNPSR1ALDH1A1
SCHEMBL3149402 0.82 ALDH1A1 (0.57) KMT2ANPC1MAPTNPSR1HPGD
SCHEMBL2873071 0.81 MAPK1 (0.65) KMT2ANPC1MAPTNPSR1ALDH1A1
SCHEMBL9195698 0.80 MAPT (0.58) KMT2ANPC1MAPTNPSR1HPGD
SCHEMBL6985977 0.80 KMT2A (0.63) KMT2ANPC1MAPTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed