SCHEMBL7224062

SCHEMBL7224062

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccccc2N2CCCC2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 4/20 0.39
MAPK10 P53779 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CSF1R P07333 6/20 0.39
NPSR1 Q6W5P4 4/20 0.38
NPY1R P25929 1/20 0.38
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7224265 0.99 HPGD (0.43) HPGDMAPTKDM4ELMNANPC1
SCHEMBL7226017 0.92 MAPT (0.46) HPGDMAPTKDM4ELMNANPC1
SCHEMBL7234830 0.83 RAB9A (0.42) MAPTLMNANPC1RAB9AGAA
SCHEMBL7224300 0.83 RAB9A (0.40) HPGDMAPTKDM4ELMNANPC1
SCHEMBL7072612 0.83 RAB9A (0.49) HPGDMAPTKDM4ELMNANPC1
SCHEMBL7225840 0.83 RAB9A (0.41) HPGDMAPTKDM4ELMNANPC1
SCHEMBL7233102 0.83 ALDH1A1 (0.49) HPGDMAPTKDM4ELMNANPC1
SCHEMBL7231145 0.83 SLC9A1 (0.44) LMNANPC1RAB9AGAASMN1; SMN2
SCHEMBL7226764 0.83 RAB9A (0.53) HPGDMAPTKDM4ELMNANPC1
SCHEMBL7223842 0.82 MAPKAPK2 (0.45) HPGDMAPTKDM4ELMNANPC1

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