SCHEMBL7226364

SCHEMBL7226364

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(Sc2ccccc2)o1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
CHRNA7 P36544 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL7225963 0.90 SLC6A3 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL7231748 0.90 SLC6A4 (0.39) CHRNA7ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7232697 0.88 KDM4C (0.35) ALDH1A1SLC6A3CHRNB2CHRNA4
SCHEMBL7224680 0.88 CHRNB2 (0.36) SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL7232514 0.86 ACKR3 (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7226384 0.86 CHRNB2 (0.34) CHRNA7ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7224694 0.86 SLC6A3 (0.33) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL7124952 0.86 SLC6A4 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7226264 0.86 SLC6A3 (0.33) CHRNA7ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7224696 0.85 SLC6A3 (0.40) CHRNA7ALDH1A1SLC6A2SLC6A4SLC6A3

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