SCHEMBL7226017

SCHEMBL7226017

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccccc2N2CCOCC2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
MAPK10 P53779 1/20 0.41
MITF O75030 1/20 0.39
CSF1R P07333 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 6/20 0.38
MAPKAPK2 P49137 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 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
SCHEMBL7224062 0.92 HPGD (0.41) MAPTMAPK1LMNAPOLBKMT2A
SCHEMBL7224265 0.91 HPGD (0.43) MAPTMAPK1LMNAPOLBKMT2A
SCHEMBL7224704 0.83 MAPKAPK2 (0.44) MAPTMAPK1LMNAPOLBKMT2A
SCHEMBL7234830 0.82 RAB9A (0.42) MAPTMAPK1LMNAKMT2AMEN1
SCHEMBL7233084 0.81 ALDH1A1 (0.41) MAPTMAPK1LMNAPOLBKMT2A
SCHEMBL7224300 0.81 RAB9A (0.40) MAPTMAPK1LMNAKMT2ATDP1
SCHEMBL7072612 0.81 RAB9A (0.49) MAPTMAPK1LMNAKMT2ATDP1
SCHEMBL7225840 0.81 RAB9A (0.41) MAPTMAPK1LMNAKMT2AMEN1
SCHEMBL7226764 0.81 RAB9A (0.53) MAPTMAPK1LMNAKMT2AMEN1
SCHEMBL7231145 0.81 SLC9A1 (0.44) LMNANPC1RAB9ASMN1; SMN2HTT

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