SCHEMBL7224538

SCHEMBL7224538

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccc(-c3nccs3)cc2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 13/20 0.44
GAA P10253 13/20 0.44
SI P14410 13/20 0.44
MGAM2 Q2M2H8 13/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
STAT1 P42224 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7225111 0.92 MGAM (0.45) MGAMGAASIMGAM2NPC1
SCHEMBL7233542 0.88 MGAM (0.43) MGAMGAASIMGAM2NPC1
SCHEMBL7223139 0.84 NPC1 (0.42) GAANPC1RAB9AMEN1MAPT
SCHEMBL7233288 0.83 NPC1 (0.46) GAANPC1RAB9AMEN1MAPT
SCHEMBL7230874 0.82 NPC1 (0.40) MGAMGAASIMGAM2NPC1
SCHEMBL7224521 0.82 NPC1 (0.40) MGAMGAASIMGAM2NPC1
SCHEMBL7225223 0.82 NPC1 (0.45) GAANPC1RAB9AMEN1MAPT
SCHEMBL7077992 0.82 MMP13 (0.46) MGAMGAASIMGAM2NPC1
SCHEMBL7075008 0.82 MMP13 (0.46) MGAMGAASIMGAM2NPC1
SCHEMBL7232499 0.82 ALDH1A1 (0.54) MGAMGAASIMGAM2NPC1

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