SCHEMBL7223159

SCHEMBL7223159

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2c(Cl)cccc2Cl)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
AKT1 P31749 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
GFER P55789 1/20 0.35

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
SCHEMBL7224710 0.88 GAA (0.45) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL7226764 0.88 RAB9A (0.53) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL7224388 0.84 NPC1 (0.46) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL7225644 0.84 AKT1 (0.37) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL7225482 0.84 ALDH1A1 (0.54) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL7226254 0.83 NPC1 (0.59) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL7226388 0.83 AKT1 (0.37) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL375394 0.83 NPC1 (0.44) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL7074460 0.83 NPC1 (0.44) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL7234436 0.83 NPC1 (0.45) RAB9ANPC1L3MBTL1LMNASMN1; SMN2

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-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed