SCHEMBL7226375

SCHEMBL7226375

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cccc(Cl)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 4/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 5/20 0.47
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
GRM5 P41594 2/20 0.37
ATM Q13315 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
MCHR1 Q99705 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
SCHEMBL7225739 0.89 ALDH1A1 (0.45) MAPTNPSR1MAPK1ALDH1A1SLC6A4
SCHEMBL7233832 0.88 SLC6A3 (0.42) MAPTNPSR1MAPK1ALDH1A1SLC6A4
SCHEMBL7225481 0.87 NPSR1 (0.45) MAPTNPSR1MAPK1ALDH1A1SLC6A4
SCHEMBL7223564 0.85 SLC6A4 (0.39) MAPTNPSR1MAPK1ALDH1A1SLC6A4
SCHEMBL7232058 0.83 NPSR1 (0.40) MAPTNPSR1MAPK1ALDH1A1SLC6A4
SCHEMBL7127654 0.82 GRM5 (0.47) SLC6A4SLC6A2SLC6A3GRM5TRPV1
SCHEMBL7224670 0.82 LMNA (0.43) MAPTNPSR1MAPK1ALDH1A1SLC6A3
SCHEMBL7225482 0.82 ALDH1A1 (0.54) MAPTMAPK1ALDH1A1KDM4EGAA
SCHEMBL7225781 0.79 PTPN11 (0.44) MAPTALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL7225045 0.79 SLC6A3 (0.41) SLC6A4SLC6A2SLC6A3GRM5TRPV1

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