SCHEMBL7939303

SCHEMBL7939303

O=C(COc1ccccc1)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
GAA P10253 2/20 0.59
MITF O75030 1/20 0.57
KLF5 Q13887 1/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
LMNA P02545 2/20 0.57
HIF1A Q16665 1/20 0.55
MLYCD O95822 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL4367820 0.88 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL31503975 0.83 LMNA (0.78) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL4913667 0.82 HCAR2 (0.65) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL2956119 0.81 HIF1A (0.67) NPC1RAB9AMITFKLF5MEN1
SCHEMBL3498895 0.80 LMNA (0.78) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL9269038 0.80 KMT2A (0.66) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL14113481 0.79 NPC1 (0.48) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL3301439 0.79 NPC1 (0.48) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL3301443 0.79 NPC1 (0.48) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL20495111 0.78 HIF1A (0.63) GAAMEN1KMT2APOLBMAPT

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
US-6245817-B1 NEUROPEPTIDE Y BAYER CORPORATION 2001-06-12 US disclosed
US-5939462-A ADMINISTERING ALKOXY AND -THIOALKOXYAMIDE COMPOSITIONS TO MAMMALS TO TREAT DISORDERS SUCH AS OBESITY THAT ARE MEDIATED BY NEUROPEPTIDE Y (?NPY?) BAYER CORPORATION (US) 1999-08-17 US disclosed