SCHEMBL7224710

SCHEMBL7224710

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2cccc(Cl)c2Cl)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 8/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 6/20 0.45
SLC9A1 P19634 1/20 0.45
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 7/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 2/20 0.41
CASP3 P42574 3/20 0.41
SENP7 Q9BQF6 3/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7226764 0.92 RAB9A (0.53) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL7231238 0.90 RAB9A (0.38) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL7223159 0.88 RAB9A (0.39) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL7234830 0.84 RAB9A (0.42) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL7223699 0.84 NPC1 (0.38) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL7232072 0.83 HTT (0.48) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7224672 0.83 S1PR4 (0.49) KMT2ASMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL7224676 0.83 SLC9A1 (0.45) GAAKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7225840 0.83 RAB9A (0.41) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL7072612 0.83 RAB9A (0.49) GAAKMT2ARAB9ANPC1SMN1; 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