SCHEMBL7230658

SCHEMBL7230658

CC(=O)Nc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.46
HTR3E A5X5Y0 4/20 0.46
HTR3B O95264 4/20 0.46
HTR3A P46098 4/20 0.46
HTR3D Q70Z44 4/20 0.46
HTR3C Q8WXA8 4/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ESRRG P62508 5/20 0.43
PTPN11 Q06124 3/20 0.42
ESR1 P03372 2/20 0.42
PTPN1 P18031 2/20 0.42
ESR2 Q92731 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PTPN2 P17706 1/20 0.41
KCNH2 Q12809 1/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL7223914 0.90 NQO2 (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7226094 0.88 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224563 0.87 PTPN1 (0.49) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224991 0.87 ESRRG (0.46) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7225979 0.87 CHRNA7 (0.41) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224819 0.86 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7231972 0.85 ESRRG (0.46) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL375517 0.85 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223338 0.85 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224860 0.84 KDM4E (0.55) 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 1 patent. 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 disclosed