SCHEMBL7223162

SCHEMBL7223162

CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
KDM4E B2RXH2 3/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 4/20 0.44
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL7225759 0.90 MMP13 (0.50) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7077992 0.89 MMP13 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7075008 0.89 MMP13 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL7075860 0.88 MMP13 (0.45) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7225131 0.88 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7232663 0.88 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7233288 0.88 NPC1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7231970 0.88 MAPT (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7232288 0.87 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7233285 0.87 MMP13 (0.48) ALDH1A1MAPTKDM4EKMT2AMEN1

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