SCHEMBL7223149

SCHEMBL7223149

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cccc(Cl)c2Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.35
USP7 Q93009 2/20 0.35
USP47 Q96K76 2/20 0.35
HTR3A P46098 4/20 0.33
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 3/20 0.33
P2RX7 Q99572 1/20 0.33
HTR7 P34969 2/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
ITGA5 P08648 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 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
SCHEMBL7224358 0.86 SLC6A3 (0.36) CHRNA7HTR3ASLC6A3SLC6A4CHRNA1
SCHEMBL7223174 0.85 CHRNA7 (0.33) CHRNA7HTR3ACHRNB4CHRNA3HTR3E
SCHEMBL7231186 0.84 CHRNA7 (0.33) CHRNA7HTR3ATAS1R3TAS1R1SLC6A3
SCHEMBL7223431 0.84 HTR3E (0.33) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7224323 0.83 MEN1 (0.38) F10
SCHEMBL7225927 0.83 CHRNA7 (0.35) CHRNA7HTR3ATAS1R3TAS1R1TAS1R2
SCHEMBL7240585 0.82 HSD17B10 (0.35) CHRNA7HTR3ACHRNB4CHRNA3HTR3E
SCHEMBL7230214 0.82 SIRT1 (0.36) CHRNA7HTR3ACHRNB4CHRNA3HTR3E
SCHEMBL7226168 0.82 HSD17B1 (0.37) USP7SLC6A3SLC6A4F10
SCHEMBL7234021 0.82 SLC6A3 (0.39) CHRNA7USP7HTR3ASLC6A3SLC6A4

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