SCHEMBL7947481

SCHEMBL7947481

NCc1c(C(=O)c2ccccc2)cccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
POLB P06746 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
SCHEMBL8631456 0.76 ALDH1A1 (0.56) SMN1; SMN2MAPTUSP2MAPK1TSHR
SCHEMBL7961639 0.75 SMN1; SMN2 (0.70) HRH3SMN1; SMN2LMNAHSD17B10MAPT
SCHEMBL10684394 0.74 NPC1 (0.62) SMN1; SMN2MAPTUSP2TSHRALDH1A1
SCHEMBL8630996 0.72 CHKA (0.44) SMN1; SMN2MAPTUSP2MAPK1TSHR
Hydrochloric Acid SCHEMBL8632109 0.71 AKR1C3 (0.43) SMN1; SMN2MAPTUSP2MAPK1TSHR
SCHEMBL7947472 0.70 SMN1; SMN2 (0.43) HRH3SMN1; SMN2HSD17B10MAPTUSP2
SCHEMBL7962391 0.70 POLB (0.81) HRH3SMN1; SMN2LMNAMAPTUSP2
SCHEMBL7947475 0.69 KMT2A (0.52) SMN1; SMN2ALDH1A1HPGDPLA2G1BATG4B
SCHEMBL28199807 0.68 MAPT (0.43) SMN1; SMN2LMNAMAPTMAPK1TSHR
SCHEMBL27463569 0.68 POLB (0.64) HRH3SMN1; SMN2MAPTHTTTSHR

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 1 patent. 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