SCHEMBL7224824

SCHEMBL7224824

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccnc(Cl)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.38
HTR3E A5X5Y0 4/20 0.38
HTR3B O95264 4/20 0.38
HTR3A P46098 4/20 0.38
HTR3D Q70Z44 4/20 0.38
HTR3C Q8WXA8 4/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL7230436 0.88 CTSS (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223964 0.87 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7243634 0.87 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7243631 0.87 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7230944 0.85 CTSS (0.44) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224193 0.85 HDAC3 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232950 0.85 CHRNA7 (0.42) CHRNA7HDAC3HDAC4HDAC1HDAC7
SCHEMBL7232673 0.84 MAPK11 (0.49) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224957 0.83 TAS1R3 (0.36) CHRNA7TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL7231972 0.83 ESRRG (0.46) 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