SCHEMBL7224839

SCHEMBL7224839

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2cnccc2Cl)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
AKT1 P31749 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 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
SCHEMBL7225671 0.92 RAB9A (0.38) ALDH1A1MAPTMAPK1KDM4ERAB9A
SCHEMBL7230667 0.88 MGAM (0.35) MAPTMAPK1KDM4ERAB9ANPC1
SCHEMBL7232049 0.86 MGAM (0.35) MAPTMAPK1KDM4ERAB9ANPC1
SCHEMBL7226764 0.85 RAB9A (0.53) ALDH1A1MAPTMAPK1KDM4ERAB9A
SCHEMBL7224672 0.84 S1PR4 (0.49) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL7223139 0.83 NPC1 (0.42) ALDH1A1MAPTMAPK1KDM4ERAB9A
SCHEMBL7223699 0.82 NPC1 (0.38) ALDH1A1MAPTMAPK1KDM4ERAB9A
SCHEMBL7224710 0.82 GAA (0.45) ALDH1A1MAPTMAPK1KDM4ERAB9A
SCHEMBL7232072 0.82 HTT (0.48) ALDH1A1MAPTMAPK1KDM4ERAB9A
SCHEMBL7231502 0.82 CHRNB2 (0.46) ALDH1A1MAPTMAPK1KDM4ERAB9A

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