SCHEMBL7225671

SCHEMBL7225671

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccncc2Cl)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKT1 P31749 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 2/20 0.35
MGAM O43451 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
SCHEMBL7224839 0.92 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL7232049 0.88 MGAM (0.35) RAB9ANPC1MAPTMAPK1KDM4E
SCHEMBL7230667 0.86 MGAM (0.35) RAB9ANPC1MAPTMAPK1KDM4E
SCHEMBL7226764 0.85 RAB9A (0.53) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL7232072 0.84 HTT (0.48) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL7223139 0.83 NPC1 (0.42) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL7224441 0.82 RAB9A (0.38) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL7223699 0.82 NPC1 (0.38) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL7231502 0.82 CHRNB2 (0.46) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL7224710 0.82 GAA (0.45) RAB9ANPC1ALDH1A1MAPTMAPK1

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