SCHEMBL7958674

SCHEMBL7958674

C=C(c1ccc(C)cc1)c1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CHKA P35790 1/20 0.47
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.43
AKR1C3 P42330 2/20 0.43
ADRB1 P08588 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL171845 0.86 MAPT (0.63) MAPTHTTSMN1; SMN2CHKALMNA
SCHEMBL9673237 0.83 MAPT (0.58) MAPTHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL9673663 0.81 MAPT (0.56) MAPTHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL9671475 0.81 MAPT (0.56) MAPTHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL7954966 0.80 KDM4E (0.51) SMN1; SMN2CHKAPOLBAKR1C3ADRB2
SCHEMBL12082812 0.78 LMNA (0.69) MAPTHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL7956932 0.76 HIF1A (0.50) MAPTHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL7956784 0.76 HIF1A (0.50) MAPTHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL6323362 0.75 ITGB3 (0.48) MAPTHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL7956788 0.75 ITGB3 (0.48) MAPTHTTSMN1; SMN2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed