SCHEMBL7225927

SCHEMBL7225927

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccccc2C(F)(F)F)s1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCD O00767 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HTR3E A5X5Y0 5/20 0.32
HTR3B O95264 5/20 0.32
HTR3A P46098 5/20 0.32
HTR3D Q70Z44 5/20 0.32
HTR3C Q8WXA8 5/20 0.32
HCRTR1 O43613 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL7223174 0.88 CHRNA7 (0.33) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223538 0.88 ALDH1A1 (0.35) MAPT
SCHEMBL7231186 0.87 CHRNA7 (0.33) CHRNA7TAS1R3TAS1R1HTR3EHTR3B
SCHEMBL7223431 0.87 HTR3E (0.33) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223906 0.86 LMNA (0.36) CHRNA7LMNAMAPTNPSR1DDB1
SCHEMBL7232388 0.85 PRKCB (0.32) KDM4ETSHRHSD17B10
SCHEMBL7240585 0.85 HSD17B10 (0.35) CHRNA7MAPTHTR3EHTR3BHTR3A
SCHEMBL7230214 0.85 SIRT1 (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232807 0.84 CHRNA7 (0.41) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7231965 0.84 CHRNA7 (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D

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