SCHEMBL7225883

SCHEMBL7225883

Cc1ccccc1Oc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)s1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
NOTUM Q6P988 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL7226001 0.90 KDM1A (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7222888 0.88 HPGD (0.35) SLC6A3
SCHEMBL7231618 0.88 SLC6A4 (0.38) EZH2LMNASLC6A2SLC6A4SLC6A3
SCHEMBL7231524 0.86 HTR3E (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7225513 0.84 CHRNA7 (0.37) EZH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223469 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7230910 0.83 SLC6A2 (0.40) EZH2MEN1KMT2AJAK2JAK1
SCHEMBL7223246 0.82 SLC6A3 (0.40) SLC6A3
SCHEMBL7231932 0.82 HTR4 (0.38) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL7225338 0.81 SCN9A (0.33) SLC6A2SLC6A4SLC6A3

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