SCHEMBL9876385

SCHEMBL9876385

CN1C2CCCC1CC(NC(=O)Cc1cc3ccccc3n1C)C2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.50
HTR3E A5X5Y0 1/20 0.50
SLC22A2 O15244 1/20 0.50
HTR3B O95264 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
KCNH2 Q12809 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HTR4 Q13639 1/20 0.45

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
Maleic Acid SCHEMBL7333919 0.94 KDM4E (0.49) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL7303201 0.76 CXCR6 (0.55) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL7334925 0.74 KDM1A (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7303197 0.74 OPRM1 (0.41) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL7383321 0.74 HTR3A (0.51) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL7363375 0.73 CHRNA7 (0.50) HTR3AHTR3EHTR3BCHRNB2CHRNA3
SCHEMBL7387366 0.71 HTR3A (0.68) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL7387363 0.71 HTR3A (0.68) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL2343924 0.70 MCL1 (0.57)
SCHEMBL29255654 0.70 MCL1 (0.53)

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-5013733-A Psychological disorders, antianxiety, 5-hydroxytryptamine antagonists GLAXO GROUP LIMITED (GB) 1991-05-07 US disclosed