SCHEMBL7225149

SCHEMBL7225149

COc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.37
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
SLC6A2 P23975 3/20 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
SCHEMBL7229845 0.92 SLC6A3 (0.42) NPC1POLBRAB9ASLC6A4SLC6A3
SCHEMBL7233323 0.90 ESR1 (0.37) ALDH1A1HPGDSLC6A4SLC6A3SLC6A2
SCHEMBL7226014 0.90 SLC6A2 (0.41) HTR4NPC1ALDH1A1POLBRAB9A
SCHEMBL7223301 0.90 MAPT (0.36) MAPTHPGDRAB9ASLC6A4
SCHEMBL7232095 0.89 CHRNA7 (0.34) ALDH1A1HPGDSLC6A4SLC6A3SLC6A2
SCHEMBL7225066 0.89 SLC6A4 (0.41) KDM4ESLC6A4SLC6A3SLC6A2
SCHEMBL7226161 0.89 SLC6A3 (0.36) SLC6A4SLC6A3SLC6A2
SCHEMBL7225381 0.89 HTR3E (0.37) NPC1SLC6A4SLC6A3SLC6A2
SCHEMBL7226147 0.89 SLC6A3 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL7231735 0.88 MMP2 (0.36) SMN1; SMN2ALDH1A1MAPTPOLB

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